SCHEMBL3104632

SCHEMBL3104632

NC(=O)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.72
MKNK1 Q9BUB5 9/20 0.63
MKNK2 Q9HBH9 9/20 0.63
CHEK2 O96017 2/20 0.63
HDAC1 Q13547 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
CHUK O15111 1/20 0.56
MAP4K4 O95819 2/20 0.55
CDC7 O00311 1/20 0.55
MYC P01106 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52

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
Hydrochloric Acid SCHEMBL4442122 0.98 CYP17A1 (0.70) CYP17A1MKNK1MKNK2CHEK2HDAC1
SCHEMBL8582840 0.85 NAPRT (0.59) CYP17A1MKNK1MKNK2CHEK2CDC7
SCHEMBL44995 0.85
SCHEMBL1002578 0.85 CA2 (0.67) CYP17A1MKNK1MKNK2MAP4K4CA12
SCHEMBL22284875 0.85 CYP17A1 (1.00) CYP17A1MKNK1MKNK2CHEK2HDAC1
Hydrochloric Acid SCHEMBL5710616 0.83 CYP17A1 (0.57) CYP17A1MKNK1MKNK2CHEK2CDC7
Water SCHEMBL31094001 0.83 CYP17A1 (0.57) CYP17A1MKNK1MKNK2CHEK2CDC7
SCHEMBL28382890 0.83 CYP17A1 (0.57) CYP17A1MKNK1MKNK2CHEK2CDC7
Hydrochloric Acid SCHEMBL1666770 0.83 CYP17A1 (0.57) CYP17A1MKNK1MKNK2CHEK2CDC7
Hydrochloric Acid SCHEMBL28802361 0.83 CYP17A1 (0.57) CYP17A1MKNK1MKNK2CHEK2CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US claimed
EP-0999834-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-10-12 EP claimed
US-6586459-B2 Inhibitors of factor Xa; for example 3-(4-tert-butylbenzoyl)amino-N-(4-methoxyphenyl)-2-thiophenecarboxamide BEIGHT DOUGLAS WADE (US) 2003-07-01 US claimed
US-6583173-B2 Useful as anticoagulants in mammals; inhibitors of factor Xa ELI LILLY AND COMPANY 2003-06-24 US claimed
US-20020072531-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-06-13 US claimed
US-20020049234-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-04-25 US claimed
JP-2002506462-A 2002-02-26 JP claimed
US-6313151-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US claimed
EP-0999834-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-04-04 EP claimed
EP-0999834-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-05-17 EP claimed
WO-1999000126-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
CN-1073430-A Benzanilide derivatives GLAXO GROUP LTD (GB) 1993-06-23 CN claimed
EP-3784226-B1 PYRAZOLE-PHENYLAMIDE DERIVATIVES AS INHIBITORS OF THE RHO-ASSOCIATED PROTEIN KINASE ROCK1 AND ROCK2 FOR THE TREATMENT OF CANCER TRANSLATIONAL DRUG DEV LLC (US) 2024-08-14 EP disclosed
WO-2024080780-A1 NOVEL INDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF 고려대학교 산학협력단 2024-04-18 WO disclosed
WO-1999000126-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed
WO-1998021188-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1998-05-22 WO disclosed
CN-1073430-A Benzanilide derivatives GLAXO GROUP LTD (GB) 1993-06-23 CN 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 (4 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 CYP17A1 1379/4885MKNK1 243/4885MKNK2 485/4885
US-20020072531-A1 Antithrombotic agents SERPINC1, TFPI, F11 CYP17A1 504/4885MKNK1 3797/4885MKNK2 3548/4885
US-20020049234-A1 Antithrombotic agents SERPINC1, TFPI, F11 CYP17A1 504/4885MKNK1 3797/4885MKNK2 3548/4885
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES CMA1, ARSA, TPSAB1 CYP17A1 1529/4885MKNK1 4139/4885MKNK2 3936/4885

“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.