chembl-mcp-server

{'type': 'object', '$schema': 'https://json-schema.org/draft/2020-12/schema', 'required': ['canvas_id'], 'properties': {'canvas_id': {'type': 'string', 'pattern': '^[A-Za-z0-9_-]{10}$', 'description': 'Canvas ID returned by chembl_get_bioactivities (spilled: true).'}}, 'additionalProperties': False}

{'type': 'object', 'anyOf': [{'not': {'required': ['error']}, 'required': ['tables']}, {'required': ['error']}], '$schema': 'https://json-schema.org/draft/2020-12/schema', 'properties': {'error': {'type': 'object', 'required': ['code', 'message'], 'properties': {'code': {'type': 'integer', 'maximum': 9007199254740991, 'minimum': -9007199254740991, 'description': 'JSON-RPC error code for this failure.'}, 'data': {'type': 'object', 'properties': {'reason': {'type': 'string', 'examples': ['canvas_disabled'], 'description': 'Machine-readable failure mode. Declared by this tool: `canvas_disabled`: Called while CANVAS_PROVIDER_TYPE is not duckdb, so no canvas exists. Other values are possible when a failure originates below the handler.'}, 'recovery': {'type': 'object', 'required': ['hint'], 'properties': {'hint': {'type': 'string'}}, 'description': 'Actionable next step for the caller.', 'additionalProperties': {}}, 'retryable': {'type': 'boolean', 'description': 'Whether retrying may succeed.'}}, 'additionalProperties': {}}, 'message': {'type': 'string', 'description': 'Human-readable description of what went wrong.'}}, 'description': 'Present when the call failed. Absent on success.', 'additionalProperties': {}}, 'tables': {'type': 'array', 'items': {'type': 'object', 'required': ['name', 'kind', 'row_count', 'columns'], 'properties': {'kind': {'enum': ['table', 'view'], 'type': 'string', 'description': 'Whether the entry is a base table or a registered view.'}, 'name': {'type': 'string', 'description': 'Canvas-local table name, e.g. "bioactivities".'}, 'columns': {'type': 'array', 'items': {'type': 'object', 'required': ['name', 'type'], 'properties': {'name': {'type': 'string', 'description': 'Column name, e.g. "pchembl_value".'}, 'type': {'type': 'string', 'description': 'Column type tag, e.g. "DOUBLE", "VARCHAR", "BIGINT".'}}, 'description': 'One column available for SQL.', 'additionalProperties': False}, 'description': 'Columns available for SQL on this table.'}, 'row_count': {'type': 'number', 'description': 'Number of rows in the table (materialized COUNT for views).'}}, 'description': 'One staged table or view on the canvas.', 'additionalProperties': False}, 'description': 'Tables and views staged on the canvas.'}}, 'additionalProperties': False}

{'type': 'object', '$schema': 'https://json-schema.org/draft/2020-12/schema', 'required': ['canvas_id', 'sql'], 'properties': {'sql': {'type': 'string', 'description': 'A read-only SELECT against the staged tables. Reference tables by the names chembl_get_bioactivities returned.'}, 'canvas_id': {'type': 'string', 'pattern': '^[A-Za-z0-9_-]{10}$', 'description': 'Canvas ID returned by chembl_get_bioactivities (spilled: true).'}}, 'additionalProperties': False}

{'type': 'object', 'anyOf': [{'not': {'required': ['error']}, 'required': ['rows', 'row_count', 'rendered_rows', 'truncated']}, {'required': ['error']}], '$schema': 'https://json-schema.org/draft/2020-12/schema', 'properties': {'rows': {'type': 'array', 'items': {'type': 'object', 'propertyNames': {'type': 'string'}, 'additionalProperties': {}}, 'description': 'Result rows (capped at the canvas row limit). Each row is a columnâ\x86\x92value map.'}, 'error': {'type': 'object', 'required': ['code', 'message'], 'properties': {'code': {'type': 'integer', 'maximum': 9007199254740991, 'minimum': -9007199254740991, 'description': 'JSON-RPC error code for this failure.'}, 'data': {'type': 'object', 'properties': {'reason': {'type': 'string', 'examples': ['canvas_disabled'], 'description': 'Machine-readable failure mode. Declared by this tool: `canvas_disabled`: Called while CANVAS_PROVIDER_TYPE is not duckdb, so no canvas exists. Other values are possible when a failure originates below the handler.'}, 'recovery': {'type': 'object', 'required': ['hint'], 'properties': {'hint': {'type': 'string'}}, 'description': 'Actionable next step for the caller.', 'additionalProperties': {}}, 'retryable': {'type': 'boolean', 'description': 'Whether retrying may succeed.'}}, 'additionalProperties': {}}, 'message': {'type': 'string', 'description': 'Human-readable description of what went wrong.'}}, 'description': 'Present when the call failed. Absent on success.', 'additionalProperties': {}}, 'row_count': {'type': 'number', 'description': 'Number of rows materialized in this response.'}, 'truncated': {'type': 'boolean', 'description': 'True when the SQL result exceeded the canvas row cap and was truncated â\x80\x94 the engine bounding the result set itself, not the rendering. Independent of rendered_rows; page past it with LIMIT/OFFSET.'}, 'rendered_rows': {'type': 'number', 'description': 'How many of those rows the markdown table in content[] holds. Below row_count when the rendered table reached its character budget â\x80\x94 a rendering bound, INDEPENDENT of truncated: a response can be truncated:false and still render fewer rows than row_count. Re-run the same SQL with LIMIT/OFFSET to read the rows past it.'}}, 'additionalProperties': False}

{'type': 'object', '$schema': 'https://json-schema.org/draft/2020-12/schema', 'required': ['assay_chembl_id'], 'properties': {'assay_chembl_id': {'type': 'string', 'minLength': 1, 'description': 'ChEMBL assay ID from a bioactivity row\'s assay_chembl_id, e.g. "CHEMBL674637".'}}, 'additionalProperties': False}

{'type': 'object', 'anyOf': [{'not': {'required': ['error']}, 'required': ['assay_chembl_id', 'description', 'assay_type', 'assay_type_description', 'target_chembl_id', 'organism', 'confidence_score', 'confidence_description']}, {'required': ['error']}], '$schema': 'https://json-schema.org/draft/2020-12/schema', 'properties': {'error': {'type': 'object', 'required': ['code', 'message'], 'properties': {'code': {'type': 'integer', 'maximum': 9007199254740991, 'minimum': -9007199254740991, 'description': 'JSON-RPC error code for this failure.'}, 'data': {'type': 'object', 'properties': {'reason': {'type': 'string', 'examples': ['not_found', 'rate_limited'], 'description': 'Machine-readable failure mode. Declared by this tool: `not_found`: ChEMBL has no record for the requested identifier or structure. `rate_limited`: ChEMBL rate-limits the upstream request. Other values are possible when a failure originates below the handler.'}, 'recovery': {'type': 'object', 'required': ['hint'], 'properties': {'hint': {'type': 'string'}}, 'description': 'Actionable next step for the caller.', 'additionalProperties': {}}, 'retryable': {'type': 'boolean', 'description': 'Whether retrying may succeed.'}}, 'additionalProperties': {}}, 'message': {'type': 'string', 'description': 'Human-readable description of what went wrong.'}}, 'description': 'Present when the call failed. Absent on success.', 'additionalProperties': {}}, 'organism': {'type': ['string', 'null'], 'description': 'Assay organism. Null when unspecified.'}, 'assay_type': {'type': ['string', 'null'], 'description': 'Assay type code: B=binding, F=functional, A=ADMET, T=toxicity, P=physicochemical, U=unclassified. Null when absent.'}, 'description': {'type': ['string', 'null'], 'description': 'Assay description text. Null when absent.'}, 'assay_chembl_id': {'type': 'string', 'description': 'The ChEMBL assay ID queried.'}, 'confidence_score': {'type': ['number', 'null'], 'description': 'ChEMBL confidence score, 1â\x80\x939 (9 = direct single-protein assay; lower = homologous/indirect). Null when unscored.'}, 'target_chembl_id': {'type': ['string', 'null'], 'description': 'ChEMBL target ID the assay measures â\x80\x94 chain to chembl_search_targets/chembl_get_bioactivities. Null when unassigned.'}, 'assay_type_description': {'type': ['string', 'null'], 'description': 'Human-readable assay type, e.g. "Binding". Null when absent.'}, 'confidence_description': {'type': ['string', 'null'], 'description': 'Human-readable confidence description, e.g. "Direct single protein target assigned". Null when absent.'}}, 'additionalProperties': False}

{'type': 'object', '$schema': 'https://json-schema.org/draft/2020-12/schema', 'properties': {'limit': {'type': 'integer', 'maximum': 1000, 'minimum': 1, 'description': 'Maximum rows in the inline preview. Defaults to the server default (25). The full set still spills to the canvas.'}, 'organism': {'type': 'string', 'description': 'Restrict to a target organism, e.g. "Homo sapiens" (case-insensitive exact match).'}, 'canvas_id': {'type': 'string', 'pattern': '^[A-Za-z0-9_-]{10}$', 'description': "Optional canvas ID from a prior call to reuse the same canvas. Each potency_view re-stages its own table, so a second query of the SAME view REPLACES (overwrites) its prior rows â\x80\x94 it does not append â\x80\x94 while the other view's table is left intact, which is what lets both coexist on one canvas. Omit to mint a fresh canvas."}, 'assay_type': {'type': 'string', 'description': 'Restrict to an assay type code: "B" (binding), "F" (functional), "A" (ADMET), "T" (toxicity).'}, 'potency_view': {'enum': ['potency_ranked', 'null_potency'], 'type': 'string', 'default': 'potency_ranked', 'description': 'Which side of the pchembl_value presence split to retrieve. "potency_ranked" (default) returns the measurements that have a derivable pchembl_value, most potent first. "null_potency" returns exactly the measurements that have none â\x80\x94 the rows the ranked view excludes, otherwise unreachable. The two partition the match set and stage to separate canvas tables.'}, 'standard_type': {'type': 'string', 'description': 'Restrict to one measurement type, e.g. "IC50", "Ki", "EC50". Set this to compare potencies validly.'}, 'target_chembl_id': {'type': 'string', 'description': 'ChEMBL target ID (from chembl_search_targets), e.g. "CHEMBL203". Supply this, molecule_chembl_id, or both â\x80\x94 both narrows to that compoundâ\x80\x93target pair.'}, 'pchembl_value_min': {'type': 'number', 'description': 'Minimum pchembl_value (â\x88\x92log10 molar potency), e.g. 7 keeps sub-100 nM activities. Only valid on the potency_ranked view â\x80\x94 the null_potency rows have no pchembl_value to compare against.'}, 'molecule_chembl_id': {'type': 'string', 'description': 'ChEMBL molecule ID (from chembl_search_molecules), e.g. "CHEMBL941". Supply this, target_chembl_id, or both â\x80\x94 both narrows to that compoundâ\x80\x93target pair.'}}, 'additionalProperties': False}

{'type': 'object', 'anyOf': [{'not': {'required': ['error']}, 'required': ['activities', 'totalCount', 'potency_view', 'spilled', 'canvas_id', 'table_name', 'staged_row_count', 'truncated', 'canvasDisabled', 'appliedFilters']}, {'required': ['error']}], '$schema': 'https://json-schema.org/draft/2020-12/schema', 'properties': {'error': {'type': 'object', 'required': ['code', 'message'], 'properties': {'code': {'type': 'integer', 'maximum': 9007199254740991, 'minimum': -9007199254740991, 'description': 'JSON-RPC error code for this failure.'}, 'data': {'type': 'object', 'properties': {'reason': {'type': 'string', 'examples': ['not_found', 'rate_limited', 'missing_filter', 'contradictory_potency_filter'], 'description': 'Machine-readable failure mode. Declared by this tool: `not_found`: ChEMBL has no record for the requested identifier or structure. `rate_limited`: ChEMBL rate-limits the upstream request. `missing_filter`: Neither molecule_chembl_id nor target_chembl_id was supplied, so the query had nothing to scope to. `contradictory_potency_filter`: pchembl_value_min was supplied alongside potency_view "null_potency", whose rows have no pchembl_value for the floor to compare against â\x80\x94 the combination can only ever match zero measurements. Other values are possible when a failure originates below the handler.'}, 'recovery': {'type': 'object', 'required': ['hint'], 'properties': {'hint': {'type': 'string'}}, 'description': 'Actionable next step for the caller.', 'additionalProperties': {}}, 'retryable': {'type': 'boolean', 'description': 'Whether retrying may succeed.'}}, 'additionalProperties': {}}, 'message': {'type': 'string', 'description': 'Human-readable description of what went wrong.'}}, 'description': 'Present when the call failed. Absent on success.', 'additionalProperties': {}}, 'notice': {'type': 'string', 'description': 'Guidance when no measurements matched, or how to SQL the spilled set.'}, 'spilled': {'type': 'boolean', 'description': 'True when the view exceeded the preview and was staged on the canvas.'}, 'canvas_id': {'type': ['string', 'null'], 'description': 'Canvas ID holding the staged table â\x80\x94 pass to chembl_dataframe_describe to list its columns, then to chembl_dataframe_query to run SQL over them. Null when canvas is disabled or nothing spilled.'}, 'truncated': {'type': 'boolean', 'description': 'True when the CHEMBL_MAX_SPILL_ROWS cap was hit before the upstream view was exhausted â\x80\x94 the staged table is a bounded slice, NOT the complete view, so aggregates over it are a sample. Narrow the filters to bring the view under the cap.'}, 'activities': {'type': 'array', 'items': {'type': 'object', 'required': ['activity_id', 'molecule_chembl_id', 'molecule_pref_name', 'target_chembl_id', 'target_pref_name', 'target_organism', 'assay_chembl_id', 'assay_type', 'assay_description', 'standard_type', 'standard_relation', 'standard_value', 'standard_units', 'pchembl_value', 'type', 'value', 'units', 'relation'], 'properties': {'type': {'type': ['string', 'null'], 'description': 'Original (pre-standardization) activity type string from upstream.'}, 'units': {'type': ['string', 'null'], 'description': 'Original units string from upstream.'}, 'value': {'type': ['string', 'null'], 'description': 'Original value string from upstream â\x80\x94 not coerced.'}, 'relation': {'type': ['string', 'null'], 'description': 'Original relation string from upstream.'}, 'assay_type': {'type': ['string', 'null'], 'description': 'Assay type code: B=binding, F=functional, A=ADMET, T=toxicity, P=physicochemical, U=unclassified. Null when absent.'}, 'activity_id': {'type': 'number', 'description': 'ChEMBL activity row ID.'}, 'pchembl_value': {'type': ['number', 'null'], 'description': 'â\x88\x92log10(molar potency); the rank field. Null when underivable (non-standard type, censored relation).'}, 'standard_type': {'type': ['string', 'null'], 'description': 'Standardized activity type, e.g. "IC50", "Ki", "EC50" â\x80\x94 the comparability key. Null when absent.'}, 'standard_units': {'type': ['string', 'null'], 'description': 'Standardized units, e.g. "nM". Null when absent.'}, 'standard_value': {'type': ['number', 'null'], 'description': 'Standardized value in standard_units. Null when the measurement is missing â\x80\x94 never 0.'}, 'assay_chembl_id': {'type': 'string', 'description': 'ChEMBL assay ID â\x80\x94 pass to chembl_get_assay for provenance.'}, 'target_organism': {'type': ['string', 'null'], 'description': 'Target organism, e.g. "Homo sapiens". Null when unspecified.'}, 'target_chembl_id': {'type': 'string', 'description': 'ChEMBL target ID the compound was measured against.'}, 'target_pref_name': {'type': ['string', 'null'], 'description': 'Target preferred name. Null when unnamed.'}, 'assay_description': {'type': ['string', 'null'], 'description': 'Assay description text. Null when absent.'}, 'standard_relation': {'type': ['string', 'null'], 'description': 'Standardized relation, e.g. "=", ">", "<". Null when absent.'}, 'molecule_chembl_id': {'type': 'string', 'description': 'ChEMBL molecule ID of the measured compound.'}, 'molecule_pref_name': {'type': ['string', 'null'], 'description': 'Compound preferred name. Null for many research compounds.'}}, 'description': 'One bioactivity measurement linking a compound, target, and assay.', 'additionalProperties': False}, 'description': 'Bioactivity rows for the selected potency_view â\x80\x94 the inline preview, or the full view when it fit without spilling.'}, 'table_name': {'type': ['string', 'null'], 'description': 'Canvas table name holding the staged rowset, and the FROM target for chembl_dataframe_query SQL â\x80\x94 "bioactivities" for potency_ranked, "bioactivities_null_potency" for null_potency. Null when not spilled.'}, 'totalCount': {'type': 'number', 'description': 'Total matching measurements upstream â\x80\x94 the honest full count spanning BOTH potency views, before any preview cap. The staged/preview rows are the selected view of this.'}, 'potency_view': {'enum': ['potency_ranked', 'null_potency'], 'type': 'string', 'description': 'Which view these rows came from: "potency_ranked" = measurements with a derivable pchembl_value; "null_potency" = measurements with none. Re-call with the other value to reach the rest of totalCount.'}, 'appliedFilters': {'type': 'object', 'required': ['scope', 'standard_type', 'pchembl_value_min', 'assay_type', 'organism'], 'properties': {'scope': {'type': 'string', 'description': 'Which IDs scoped the query: the molecule, the target, or both when it narrowed to a compoundâ\x80\x93target pair.'}, 'organism': {'type': ['string', 'null'], 'description': 'The organism filter applied, or null.'}, 'assay_type': {'type': ['string', 'null'], 'description': 'The assay_type filter applied, or null.'}, 'standard_type': {'type': ['string', 'null'], 'description': 'The standard_type filter applied, or null.'}, 'pchembl_value_min': {'type': ['number', 'null'], 'description': 'The pchembl_value_min filter applied, or null.'}}, 'description': 'Filters as the server parsed them.', 'additionalProperties': False}, 'canvasDisabled': {'type': 'boolean', 'description': 'True when CANVAS_PROVIDER_TYPE is not duckdb, so large sets could not spill â\x80\x94 the inline rows are a capped preview, not the full set.'}, 'staged_row_count': {'type': ['number', 'null'], 'description': 'Rows actually registered on the canvas table. Null when nothing spilled. Below the view total when truncated is true.'}}, 'additionalProperties': False}

{'type': 'object', '$schema': 'https://json-schema.org/draft/2020-12/schema', 'required': ['molecule_chembl_id'], 'properties': {'molecule_chembl_id': {'type': 'string', 'minLength': 1, 'description': 'ChEMBL molecule ID (from chembl_search_molecules), e.g. "CHEMBL939" for gefitinib.'}}, 'additionalProperties': False}

{'type': 'object', 'anyOf': [{'not': {'required': ['error']}, 'required': ['molecule_chembl_id', 'pref_name', 'max_phase', 'first_approval', 'mechanisms', 'mechanisms_total_count', 'mechanisms_status', 'indications', 'indications_total_count', 'indications_status']}, {'required': ['error']}], '$schema': 'https://json-schema.org/draft/2020-12/schema', 'properties': {'error': {'type': 'object', 'required': ['code', 'message'], 'properties': {'code': {'type': 'integer', 'maximum': 9007199254740991, 'minimum': -9007199254740991, 'description': 'JSON-RPC error code for this failure.'}, 'data': {'type': 'object', 'properties': {'reason': {'type': 'string', 'examples': ['not_found', 'rate_limited'], 'description': 'Machine-readable failure mode. Declared by this tool: `not_found`: ChEMBL has no record for the requested identifier or structure. `rate_limited`: ChEMBL rate-limits the upstream request. Other values are possible when a failure originates below the handler.'}, 'recovery': {'type': 'object', 'required': ['hint'], 'properties': {'hint': {'type': 'string'}}, 'description': 'Actionable next step for the caller.', 'additionalProperties': {}}, 'retryable': {'type': 'boolean', 'description': 'Whether retrying may succeed.'}}, 'additionalProperties': {}}, 'message': {'type': 'string', 'description': 'Human-readable description of what went wrong.'}}, 'description': 'Present when the call failed. Absent on success.', 'additionalProperties': {}}, 'notice': {'type': 'string', 'description': 'Disclosure of anything the two lists do not say for themselves: a list whose upstream fetch failed (so its emptiness means nothing), a list the page cap bounded, or â\x80\x94 only when both lists came back complete and empty â\x80\x94 that the molecule may be a research compound rather than a drug.'}, 'max_phase': {'type': ['number', 'null'], 'description': 'Max clinical phase across indications: 4 = marketed. Null when unknown.'}, 'pref_name': {'type': ['string', 'null'], 'description': 'Preferred drug name, e.g. "GEFITINIB". Null when unnamed.'}, 'mechanisms': {'type': 'array', 'items': {'type': 'object', 'required': ['target_chembl_id', 'mechanism_of_action', 'action_type'], 'properties': {'action_type': {'type': ['string', 'null'], 'description': 'Action type, e.g. "INHIBITOR", "AGONIST", "ANTAGONIST". Null when absent.'}, 'target_chembl_id': {'type': ['string', 'null'], 'description': 'ChEMBL target ID the mechanism acts on â\x80\x94 chain to chembl_get_bioactivities. Null when unspecified.'}, 'mechanism_of_action': {'type': ['string', 'null'], 'description': 'Mechanism of action, e.g. "Epidermal growth factor receptor erbB1 inhibitor". Null when absent.'}}, 'description': 'One mechanism of action linked to its molecular target.', 'additionalProperties': False}, 'description': 'Mechanisms of action. Empty is authoritative only when mechanisms_status is "complete".'}, 'indications': {'type': 'array', 'items': {'type': 'object', 'required': ['mesh_heading', 'efo_term', 'max_phase_for_ind'], 'properties': {'efo_term': {'type': ['string', 'null'], 'description': 'EFO disease term, e.g. "non-small cell lung carcinoma". Null when absent.'}, 'mesh_heading': {'type': ['string', 'null'], 'description': 'MeSH disease heading, e.g. "Carcinoma, Non-Small-Cell Lung". Null when absent.'}, 'max_phase_for_ind': {'type': ['number', 'null'], 'description': 'Max clinical phase reached for THIS indication (1â\x80\x934). Null when unknown.'}}, 'description': 'One clinical indication with the phase reached for it.', 'additionalProperties': False}, 'description': 'Clinical indications. Empty is authoritative only when indications_status is "complete".'}, 'first_approval': {'type': ['number', 'null'], 'description': 'Year of first approval, e.g. 2003. Null when unapproved or unknown.'}, 'mechanisms_status': {'enum': ['complete', 'truncated', 'failed'], 'type': 'string', 'description': 'Retrieval state of the mechanism list. "complete" = every row ChEMBL records is present, so an empty array is a fact about the molecule. "truncated" = the single-request page cap bounded the list, so the array is a prefix of mechanisms_total_count rows. "failed" = the upstream request was rejected, so the empty array is unknown data, NOT evidence that none exist â\x80\x94 re-call chembl_get_drug_info to retry.'}, 'indications_status': {'enum': ['complete', 'truncated', 'failed'], 'type': 'string', 'description': 'Retrieval state of the indication list. "complete" = every row ChEMBL records is present, so an empty array is a fact about the molecule. "truncated" = the single-request page cap bounded the list, so the array is a prefix of indications_total_count rows. "failed" = the upstream request was rejected, so the empty array is unknown data, NOT evidence that none exist â\x80\x94 re-call chembl_get_drug_info to retry.'}, 'molecule_chembl_id': {'type': 'string', 'description': 'The ChEMBL molecule ID queried.'}, 'mechanisms_total_count': {'type': ['number', 'null'], 'description': 'Total mechanism rows ChEMBL holds for this molecule (upstream page_meta.total_count). Exceeds the returned array length exactly when the status is "truncated". Null when the fetch failed â\x80\x94 the count is unknown, never 0.'}, 'indications_total_count': {'type': ['number', 'null'], 'description': 'Total indication rows ChEMBL holds for this molecule (upstream page_meta.total_count). Exceeds the returned array length exactly when the status is "truncated". Null when the fetch failed â\x80\x94 the count is unknown, never 0.'}}, 'additionalProperties': False}

{'type': 'object', '$schema': 'https://json-schema.org/draft/2020-12/schema', 'properties': {'limit': {'type': 'integer', 'maximum': 100, 'minimum': 1, 'description': 'Maximum molecules to return. Defaults to the server default (25) when omitted.'}, 'query': {'type': 'string', 'description': 'Search text for search_type=name â\x80\x94 a drug name, ChEMBL ID, or InChIKey, e.g. "imatinib" or "CHEMBL25".'}, 'cursor': {'type': 'string', 'description': "Opaque continuation token from a previous call's nextCursor â\x80\x94 resumes where that page ended. Omit for the first page. Re-send the same query/structure/filters that minted it (only limit may change; it sets this page's size); redeeming it against different filters walks a different result set."}, 'structure': {'type': 'string', 'description': 'SMILES string for structure search, e.g. "CC(=O)Oc1ccccc1C(=O)O". Required when search_type is exact/similarity/substructure.'}, 'search_type': {'enum': ['name', 'exact', 'similarity', 'substructure'], 'type': 'string', 'default': 'name', 'description': 'name = text lookup (query); exact = exact structure match; similarity = Tanimoto â\x89¥ threshold; substructure = contains the structure. All structure modes need `structure`.'}, 'max_phase_min': {'type': 'integer', 'maximum': 4, 'minimum': 0, 'description': 'For search_type=name, restrict to compounds at or above this max clinical phase (e.g. 4 for marketed drugs only).'}, 'similarity_threshold': {'type': 'integer', 'default': 70, 'maximum': 100, 'minimum': 40, 'description': 'Minimum Tanimoto similarity percent for search_type=similarity (40â\x80\x93100; ChEMBL rejects below 40). Ignored for other modes.'}}, 'additionalProperties': False}

{'type': 'object', 'anyOf': [{'not': {'required': ['error']}, 'required': ['molecules', 'totalCount', 'truncated', 'shown', 'cap']}, {'required': ['error']}], '$schema': 'https://json-schema.org/draft/2020-12/schema', 'properties': {'cap': {'type': 'number', 'description': 'The limit that was applied.'}, 'error': {'type': 'object', 'required': ['code', 'message'], 'properties': {'code': {'type': 'integer', 'maximum': 9007199254740991, 'minimum': -9007199254740991, 'description': 'JSON-RPC error code for this failure.'}, 'data': {'type': 'object', 'properties': {'reason': {'type': 'string', 'examples': ['not_found', 'rate_limited', 'missing_input'], 'description': 'Machine-readable failure mode. Declared by this tool: `not_found`: ChEMBL has no record for the requested identifier or structure. `rate_limited`: ChEMBL rate-limits the upstream request. `missing_input`: Neither query nor structure was supplied, or a structure search_type was chosen without a structure. Other values are possible when a failure originates below the handler.'}, 'recovery': {'type': 'object', 'required': ['hint'], 'properties': {'hint': {'type': 'string'}}, 'description': 'Actionable next step for the caller.', 'additionalProperties': {}}, 'retryable': {'type': 'boolean', 'description': 'Whether retrying may succeed.'}}, 'additionalProperties': {}}, 'message': {'type': 'string', 'description': 'Human-readable description of what went wrong.'}}, 'description': 'Present when the call failed. Absent on success.', 'additionalProperties': {}}, 'shown': {'type': 'number', 'description': 'Number of molecules returned.'}, 'notice': {'type': 'string', 'description': 'Guidance when nothing matched â\x80\x94 echoes the query and suggests how to broaden.'}, 'molecules': {'type': 'array', 'items': {'type': 'object', 'required': ['molecule_chembl_id', 'pref_name', 'canonical_smiles', 'standard_inchi_key', 'full_molformula', 'mw_freebase', 'alogp', 'num_ro5_violations', 'qed_weighted', 'max_phase', 'molecule_type'], 'properties': {'alogp': {'type': ['number', 'null'], 'description': 'Calculated AlogP lipophilicity, e.g. 1.31. Null when absent.'}, 'max_phase': {'type': ['number', 'null'], 'description': 'Max clinical phase: 4 = marketed drug, 0 = research compound. Null when unknown. The cheap druggability signal.'}, 'pref_name': {'type': ['string', 'null'], 'description': 'Preferred name, e.g. "ASPIRIN". Null for many research compounds.'}, 'similarity': {'type': ['number', 'null'], 'description': 'Tanimoto similarity percent (0â\x80\x93100) to the query structure. Present only on search_type=similarity results; on every other search_type the key is absent, not null.'}, 'mw_freebase': {'type': ['number', 'null'], 'description': 'Molecular weight of the free base in g/mol, e.g. 180.16. Null when absent.'}, 'qed_weighted': {'type': ['number', 'null'], 'description': 'QED weighted drug-likeness score, 0â\x80\x931. Null when not computed.'}, 'molecule_type': {'type': ['string', 'null'], 'description': 'Molecule type, e.g. "Small molecule". Null when absent.'}, 'full_molformula': {'type': ['string', 'null'], 'description': 'Molecular formula, e.g. "C9H8O4". Null when absent.'}, 'canonical_smiles': {'type': ['string', 'null'], 'description': 'Canonical SMILES structure. Null when no structure is recorded.'}, 'molecule_chembl_id': {'type': 'string', 'description': 'ChEMBL molecule ID, e.g. "CHEMBL25". Pass to chembl_get_bioactivities or chembl_get_drug_info.'}, 'num_ro5_violations': {'type': ['number', 'null'], 'description': 'Lipinski rule-of-five violation count (0â\x80\x934). Null when not computed.'}, 'standard_inchi_key': {'type': ['string', 'null'], 'description': 'Standard InChIKey â\x80\x94 chain to the pubchem server for richer chemistry. Null when absent.'}}, 'description': 'A compound matched by the search.', 'additionalProperties': False}, 'description': 'Matching compounds (up to the limit).'}, 'truncated': {'type': 'boolean', 'description': 'True when the result was capped at the limit.'}, 'nextCursor': {'type': 'string', 'description': 'Opaque token for the next page â\x80\x94 pass it back as cursor with the same filters. Absent when this page is the last one.'}, 'totalCount': {'type': 'number', 'description': 'Total compounds matching before the limit was applied.'}}, 'additionalProperties': False}

{'type': 'object', '$schema': 'https://json-schema.org/draft/2020-12/schema', 'properties': {'limit': {'type': 'integer', 'maximum': 100, 'minimum': 1, 'description': 'Maximum targets to return. Defaults to the server default (25) when omitted.'}, 'query': {'type': 'string', 'description': 'Free-text name match against the target preferred name, e.g. "kinase" or "growth factor receptor".'}, 'cursor': {'type': 'string', 'description': "Opaque continuation token from a previous call's nextCursor â\x80\x94 resumes where that page ended. Omit for the first page. Re-send the same accession/gene_symbol/query/filters that minted it (only limit may change; it sets this page's size); redeeming it against different filters walks a different result set."}, 'organism': {'type': 'string', 'description': 'Restrict to a source organism, e.g. "Homo sapiens" (case-insensitive exact match).'}, 'accession': {'type': 'string', 'description': 'UniProt accession of a target component, e.g. "P00533". The most precise resolver â\x80\x94 from the uniprot/protein server.'}, 'gene_symbol': {'type': 'string', 'description': 'Gene symbol of a target component, e.g. "EGFR" (case-insensitive exact match).'}, 'target_type': {'type': 'string', 'description': 'Restrict to a target class, e.g. "SINGLE PROTEIN" or "PROTEIN COMPLEX".'}}, 'additionalProperties': False}

{'type': 'object', 'anyOf': [{'not': {'required': ['error']}, 'required': ['targets', 'totalCount', 'truncated', 'shown', 'cap']}, {'required': ['error']}], '$schema': 'https://json-schema.org/draft/2020-12/schema', 'properties': {'cap': {'type': 'number', 'description': 'The limit that was applied.'}, 'error': {'type': 'object', 'required': ['code', 'message'], 'properties': {'code': {'type': 'integer', 'maximum': 9007199254740991, 'minimum': -9007199254740991, 'description': 'JSON-RPC error code for this failure.'}, 'data': {'type': 'object', 'properties': {'reason': {'type': 'string', 'examples': ['not_found', 'rate_limited', 'missing_input'], 'description': 'Machine-readable failure mode. Declared by this tool: `not_found`: ChEMBL has no record for the requested identifier or structure. `rate_limited`: ChEMBL rate-limits the upstream request. `missing_input`: None of query, accession, or gene_symbol was supplied. Other values are possible when a failure originates below the handler.'}, 'recovery': {'type': 'object', 'required': ['hint'], 'properties': {'hint': {'type': 'string'}}, 'description': 'Actionable next step for the caller.', 'additionalProperties': {}}, 'retryable': {'type': 'boolean', 'description': 'Whether retrying may succeed.'}}, 'additionalProperties': {}}, 'message': {'type': 'string', 'description': 'Human-readable description of what went wrong.'}}, 'description': 'Present when the call failed. Absent on success.', 'additionalProperties': {}}, 'shown': {'type': 'number', 'description': 'Number of targets returned.'}, 'notice': {'type': 'string', 'description': 'Guidance when no target matched â\x80\x94 echoes the filters and suggests how to broaden.'}, 'targets': {'type': 'array', 'items': {'type': 'object', 'required': ['target_chembl_id', 'pref_name', 'target_type', 'organism', 'components'], 'properties': {'organism': {'type': ['string', 'null'], 'description': 'Source organism, e.g. "Homo sapiens". Null when unspecified.'}, 'pref_name': {'type': ['string', 'null'], 'description': 'Preferred target name, e.g. "Epidermal growth factor receptor". Null when unnamed.'}, 'components': {'type': 'array', 'items': {'type': 'object', 'required': ['accession', 'gene_symbols'], 'properties': {'accession': {'type': ['string', 'null'], 'description': 'UniProt accession of the protein component, e.g. "P00533". Null when not a protein target.'}, 'gene_symbols': {'type': 'array', 'items': {'type': 'string', 'description': 'A gene symbol for this component, e.g. "EGFR".'}, 'description': 'Gene symbols for this component, flattened from component synonyms. Empty when none are recorded.'}}, 'description': 'One protein component of the target.', 'additionalProperties': False}, 'description': 'Protein components with UniProt accessions and gene symbols.'}, 'target_type': {'type': ['string', 'null'], 'description': 'Target class: "SINGLE PROTEIN", "PROTEIN COMPLEX", "PROTEIN FAMILY", "CELL-LINE", "ORGANISM", etc.'}, 'target_chembl_id': {'type': 'string', 'description': 'ChEMBL target ID, e.g. "CHEMBL203". Pass to chembl_get_bioactivities as target_chembl_id.'}}, 'description': 'A ChEMBL target resolved from the supplied protein identifier.', 'additionalProperties': False}, 'description': 'Matching targets (up to the limit).'}, 'truncated': {'type': 'boolean', 'description': 'True when the result was capped at the limit.'}, 'nextCursor': {'type': 'string', 'description': 'Opaque token for the next page â\x80\x94 pass it back as cursor with the same filters. Absent when this page is the last one.'}, 'totalCount': {'type': 'number', 'description': 'Total targets matching the filters before the limit was applied.'}}, 'additionalProperties': False}