SCHEMBL76794

SCHEMBL76794

Nc1ccc(-n2ccnn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 16/20 0.64
CYP19A1 P11511 1/20 0.50
KEAP1 Q14145 1/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
BRS3 P32247 1/20 0.39

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
SCHEMBL10447781 0.89 NOTUM (0.78) NOTUMCYP19A1KEAP1BRS3
SCHEMBL6326873 0.86 NOTUM (0.50) NOTUMCYP19A1KEAP1LMNA
SCHEMBL16093330 0.79 NOTUM (0.55) NOTUMCYP19A1KEAP1BRS3
SCHEMBL14955603 0.78 NOTUM (0.57) NOTUMCYP19A1KEAP1
SCHEMBL8117312 0.78 NOTUM (0.64) NOTUMCYP19A1KEAP1BRS3
SCHEMBL21777006 0.78 NOTUM (1.00) NOTUMCYP19A1KEAP1
SCHEMBL11102521 0.78 NOTUM (1.00) NOTUMCYP19A1KEAP1
SCHEMBL482167 0.78 NOTUM (0.64) NOTUMCYP19A1KEAP1
SCHEMBL239581 0.78 NOTUM (1.00) NOTUMCYP19A1KEAP1LMNAMAPT
SCHEMBL1186707 0.78 NOTUM (0.64) NOTUMCYP19A1KEAP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 EP disclosed
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US disclosed
US-11993595-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-05-28 US disclosed
CN-111592534-B New compounds 特殊治疗有限公司 2023-06-30 CN disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
US-11472798-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2022-10-18 US disclosed
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-28 US disclosed
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-28 US disclosed
EP-3828179-A1 CYANOPYRROLIDINES AS DUB MODULATORS Mission Therapeutics Limited (GB) 2021-06-02 EP disclosed
EP-1261606-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION Bayer Aktiengesellschaft (DE) 2002-12-04 EP disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 US disclosed
US-6451820-B1 Substituted 1-(4-aminophenly)triazoles and their use as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-09-17 US disclosed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
WO-2001072740-A1 SUBSTITUTED 1-(4-AMINOPHENYL) TRIAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-10-04 WO disclosed
WO-2001072740-A1 SUBSTITUTED 1-(4-AMINOPHENYL) TRIAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-10-04 WO disclosed
WO-2001047919-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER AKTIENGESELLSCHAFT (DE) 2001-07-05 WO disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 WO disclosed
EP-1063228-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP disclosed
EP-0884311-A2 Triazole Derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1998-12-16 EP 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 (6 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-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors USP7, UBA7, UBXN1 NOTUM 3531/4885CYP19A1 2034/4885KEAP1 1344/4885
US-11472798-B2 Compounds UCHL1, UCHL3, UCHL5 NOTUM 782/4885CYP19A1 1505/4885KEAP1 211/4885
US-20210332052-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 NOTUM 3531/4885CYP19A1 2034/4885KEAP1 1344/4885
US-11993595-B2 Compounds UCHL1, UCHL3, UCHL5 NOTUM 782/4885CYP19A1 1505/4885KEAP1 211/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 NOTUM 1019/4885CYP19A1 1876/4885KEAP1 257/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR NOTUM 4625/4885CYP19A1 371/4885KEAP1 1199/4885

“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.