SCHEMBL102792

SCHEMBL102792

Cc1ccc(Cl)cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP2A6 P11509 1/20 0.44
VCAM1 P19320 1/20 0.44
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
GPR35 Q9HC97 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
S1PR3 Q99500 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
AR P10275 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37

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
SCHEMBL584196 0.82 S1PR3 (0.49) TSHRCYP3A4ALDH1A1CYP2A6VCAM1
SCHEMBL31441456 0.78 MAOA (0.61) CYP3A4ALDH1A1CYP2A6VCAM1MAOA
SCHEMBL7050401 0.78 MAOA (0.61) CYP3A4ALDH1A1CYP2A6VCAM1MAOA
SCHEMBL8404523 0.78 GPR35 (0.46) TSHRCYP3A4ALDH1A1CYP2A6VCAM1
SCHEMBL8269230 0.78 GPR35 (0.46) TSHRCYP3A4ALDH1A1CYP2A6VCAM1
SCHEMBL16960959 0.77 CYP3A4 (0.46) TSHRCYP3A4ALDH1A1CYP2A6KDM4E
SCHEMBL21201419 0.77 CYP3A4 (0.46) CYP3A4ALDH1A1CYP2A6GAARAPGEF4
SCHEMBL15452416 0.77 CYP3A4 (0.46) CYP3A4ALDH1A1CYP2A6KDM4EGAA
SCHEMBL30509593 0.76 TSHR (0.52) TSHRALDH1A1CYP2A6MEN1HPGD
SCHEMBL104941 0.76 VCAM1 (0.52) TSHRCYP3A4ALDH1A1CYP2A6VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
WO-2024151638-A2 COMPOUNDS FOR FGFRS INHIBITORS COGENT BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
US-11834430-B2 Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-12-05 US disclosed
US-20230271946-A1 PROCESS FOR THE PREPARATION OF 6-(CYCLOPROPANEAMIDO)-4-((2-METHOXY-3-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)AMINO)-N-(METHYL-D3)PYRIDAZINE-3-CARBOXAMIDE BRISTOL-MYERS SQUIBB COMPANY 2023-08-31 US disclosed
US-20230242515-A1 CRYSTALLINE FORM OF 6-(CYCLOPROPANECARBOXAMIDO)-4-((2-METHOXY-3-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)AMINO)-N-(METHYL-D3) PYRIDAZINE-3-CARBOXAMIDE BRISTOL-MYERS SQUIBB COMPANY 2023-08-03 US disclosed
US-11649226-B2 Process for the preparation of 6-(cyclopropaneamido)-4-((2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)amino)-n-(methyl- D3)pyridazine-3-carboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-16 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20230015914-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-01-19 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 US disclosed
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 WO disclosed
US-6387911-B1 Pyrazinone thrombin inhibitors MERCK & CO., INC. 2002-05-14 US disclosed
WO-2001038323-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-05-31 WO disclosed
US-4942163-A LEUKEMIA E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-07-17 US disclosed
EP-0016277-B1 2-CARBONYL-3-HYDROXY-ALKENONITRILES, THEIR USE AS ANTI-ARTHRITIC AGENTS AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1981-12-02 EP disclosed
US-4259256-A ANTIINFLAMMATORY AMERICAN CYANAMID COMPANY (US) 1981-03-31 US disclosed
EP-0016277-A1 2-Carbonyl-3-hydroxy-alkenonitriles, their use as anti-arthritic agents and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-10-01 EP disclosed
WO-1980000964-A1 ANTI-INFLAMMATORY AGENTS INCLUDING 2-CARBONYL-3-HYDROXY-2-ALKENONITRILES AMERICAN CYANAMID CO (US) 1980-05-15 WO disclosed
US-4181677-A ANTIINFLAMMATORY AGENTS AMERICAN CYANAMID COMPANY (US) 1980-01-01 US 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 (9 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-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R TSHR 102/4885CYP3A4 2798/4885ALDH1A1 2977/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 TSHR 3558/4885CYP3A4 4677/4885ALDH1A1 4701/4885
US-11834430-B2 Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase ICMT, INMT, BHMT TSHR 4331/4885CYP3A4 859/4885ALDH1A1 592/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP TSHR 3994/4885CYP3A4 4877/4885ALDH1A1 4157/4885
US-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI TSHR 545/4885CYP3A4 1979/4885ALDH1A1 4773/4885
US-20230242515-A1 CRYSTALLINE FORM OF 6-(CYCLOPROPANECARBOXAMIDO)-4-((2-METHOXY-3-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)AMINO)-N-(METHYL-D3) PYRIDAZINE-3-CARBOXAMIDE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3, TUBA3C TSHR 3090/4885CYP3A4 2373/4885ALDH1A1 2151/4885
US-20230015914-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R TSHR 102/4885CYP3A4 2798/4885ALDH1A1 2977/4885
US-20230271946-A1 PROCESS FOR THE PREPARATION OF 6-(CYCLOPROPANEAMIDO)-4-((2-METHOXY-3-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)AMINO)-N-(METHYL-D3)PYRIDAZINE-3-CARBOXAMIDE TPMT, PSMB3, IL33 TSHR 3292/4885CYP3A4 1224/4885ALDH1A1 3306/4885
US-11649226-B2 Process for the preparation of 6-(cyclopropaneamido)-4-((2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)amino)-n-(methyl- D3)pyridazine-3-carboxamide TPMT, CD4, IL33 TSHR 3230/4885CYP3A4 1402/4885ALDH1A1 3261/4885

“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.