SCHEMBL988906

SCHEMBL988906

COc1ccc(CC#N)cc1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.45
TUBB1 Q9H4B7 3/20 0.45
DBH P09172 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL622290 0.86 CA2 (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30641472 0.86 CA2 (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2118714 0.83 XDH (0.35) CYP17A1DBHALDH1A1HTTKDM4E
SCHEMBL77974 0.83 CA2 (0.61) ALDH1A1KDM4E
SCHEMBL11444572 0.82 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL29689736 0.80 CRHBP (0.46) DBHALDH1A1HTTKDM4ENPC1
SCHEMBL21328361 0.80 CA2 (0.52) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL21328358 0.80 CA2 (0.52) ALDH1A1KDM4E
SCHEMBL1438454 0.80 CRHBP (0.46) DBHALDH1A1HTTKDM4ENPC1
SCHEMBL4189596 0.79 EPHX2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814356-B1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS LTD (CN) 2026-03-11 EP disclosed
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
CN-111051309-B Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2023-05-26 CN disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-6011038-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 2000-01-04 US disclosed
WO-1999011267-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1999-03-11 WO disclosed
US-5021414-A Antiestrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 US disclosed
US-4904661-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-27 US disclosed
US-4732912-A ANTIESTROGENS, ANTITUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-22 US disclosed
EP-0124369-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-06-24 EP disclosed
EP-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 EP disclosed
US-4199595-A M-phenoxybenzyl and α-cyano-M-phenoxybenzyl esters of 2-haloalkyl (oxy-, thio-, sulfinyl-, or sulfonyl)phenylalkanoic acids AMERICAN CYANAMID COMPANY (US) 1980-04-22 US disclosed
US-4178460-A INTERMEDIATES FOR INSECTICIDES AMERICAN CYANAMID CO. (US) 1979-12-11 US disclosed
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 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 (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-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP17A1 3527/4885TUBB1 3398/4885DBH 2001/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CYP17A1 3527/4885TUBB1 3398/4885DBH 2001/4885
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 CYP17A1 1647/4885TUBB1 2358/4885DBH 1448/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP17A1 3527/4885TUBB1 3398/4885DBH 2001/4885

“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.