Ketorolac

Ketorolac

SCHEMBL2221913

CC(=O)O.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Ketorolac. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 4/20 0.92
PTGS1 known ✓ P23219 2/20 0.92
CDC42 P60953 3/20 0.92
RAC1 P63000 3/20 0.92
PAK1 Q13153 2/20 0.92
NPC1 O15118 2/20 0.92
RAB9A P51151 2/20 0.92
CHRM3 P20309 1/20 0.92
OPRM1 P35372 1/20 0.92
LMNA P02545 2/20 0.73
ABCC4 O15439 1/20 0.73
HTT P42858 1/20 0.73
BLM P54132 1/20 0.73
CYP1A2 P05177 1/20 0.73
NFKB1 P19838 1/20 0.73
MAPK1 P28482 1/20 0.73
CA4 P22748 5/20 0.56
CA9 Q16790 4/20 0.56
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ketorolac SCHEMBL14892 0.96 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL23466702 0.96 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL14891 0.96 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL4103 0.96 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL5301763 0.94 PTGS2 (0.97) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL28826490 0.94 PTGS2 (0.97) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL28470790 0.94 PTGS2 (0.97) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL15661224 0.94 PTGS2 (0.97) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL20553125 0.94 PTGS2 (0.97) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL18797655 0.94 PTGS2 (0.97) PTGS2CDC42RAC1PTGS1PAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156738-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-05-16 US disclosed
US-11939333-B2 Solid forms of isoquinolinones, and process of making, composition comprising, and methods of using the same INFINITY PHARMACEUTICALS, INC. (US) 2024-03-26 US disclosed
US-20240050437-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2024-02-15 US disclosed
US-11752106-B2 Pharmaceutical composition and administrations thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-09-12 US disclosed
CN-113616656-B Heterocyclic compounds for the treatment of PI 3K-gamma mediated disorders 无限药品股份有限公司 2023-02-17 CN disclosed
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
EP-4066834-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS Infinity Pharmaceuticals, Inc. (US) 2022-10-05 EP disclosed
US-20220135576-A1 SOLID FORMS OF ISOQUINOLINONES, AND PROCESS OF MAKING, COMPOSITION COMPRISING, AND METHODS OF USING THE SAME TWELVE THERAPEUTICS, INC. 2022-05-05 US disclosed
CN-114230571-A Solid forms of isoquinolinones, methods of making, compositions containing, and methods of use thereof 无限药品股份有限公司 2022-03-25 CN disclosed
US-11247995-B2 Solid forms of isoquinolinones, and process of making, composition comprising, and methods of using the same INFINITY PHARMACEUTICALS, INC. (US) 2022-02-15 US disclosed
WO-2013130669-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATION THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-06 WO disclosed
US-20130224293-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-29 US disclosed
WO-2013032591-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-03-07 WO disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
WO-2013012918-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
US-20110183948-A1 TREATMENT OF FIBROTIC CONDITIONS USING HEDGEHOG INHIBITORS INFINITY PHARMACEUTICALS, INC. (US) 2011-07-28 US disclosed
WO-2011088404-A1 TREATMENT OF FIBROTIC CONDITIONS USING HEDGEHOG INHIBITORS INFINITY PHARMACEUTICALS , INC (US) 2011-07-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240050437-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PTGS2 1742/4885PTGS1 1405/4885CDC42 536/4885
US-20130224293-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KCNQ5 PTGS2 777/4885PTGS1 814/4885CDC42 3682/4885
US-20110183948-A1 TREATMENT OF FIBROTIC CONDITIONS USING HEDGEHOG INHIBITORS SHH, GLI1, SMO PTGS2 621/4885PTGS1 416/4885CDC42 1547/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PTGS2 3117/4885PTGS1 2224/4885CDC42 429/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PTGS2 1742/4885PTGS1 1405/4885CDC42 536/4885
US-20240156738-A1 PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KCNQ5 PTGS2 813/4885PTGS1 841/4885CDC42 3646/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PTGS2 1742/4885PTGS1 1405/4885CDC42 536/4885
US-11752106-B2 Pharmaceutical composition and administrations thereof CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KCNQ5 PTGS2 813/4885PTGS1 841/4885CDC42 3646/4885
US-11247995-B2 Solid forms of isoquinolinones, and process of making, composition comprising, and methods of using the same PIK3CA, PIK3C2A, PIK3CD PTGS2 1939/4885PTGS1 1533/4885CDC42 1024/4885
US-20220135576-A1 SOLID FORMS OF ISOQUINOLINONES, AND PROCESS OF MAKING, COMPOSITION COMPRISING, AND METHODS OF USING THE SAME PIK3CA, PIK3C2A, PIK3CD PTGS2 1939/4885PTGS1 1533/4885CDC42 1024/4885
US-11939333-B2 Solid forms of isoquinolinones, and process of making, composition comprising, and methods of using the same PIK3CA, PIK3C2A, PIK3CD PTGS2 1939/4885PTGS1 1533/4885CDC42 1024/4885
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PTGS2 1742/4885PTGS1 1405/4885CDC42 536/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.