SCHEMBL1996910

SCHEMBL1996910

Cc1c(F)cc(F)c(N=C=O)c1F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TRPA1 O75762 1/20 0.32

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
SCHEMBL4774935 0.84 CYP3A4 (0.36) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL4350033 0.80 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL5788030 0.80 CYP3A4 (0.36) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL5236864 0.76 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL5788029 0.76 CYP3A4 (0.45) CYP3A4TRPA1
SCHEMBL964182 0.74 CYP3A4 (0.37) CYP3A4GABRA1GABRB2
SCHEMBL1996913 0.72 CYP3A4 (0.36) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL4774942 0.72 CYP3A4 (0.36) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL28557793 0.72 CYP3A4 (0.36) CYP3A4GABRA1GABRB2TRPA1
SCHEMBL160448 0.72 GABRA1 (0.35) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US disclosed
EP-2791111-B1 [4-(PIPERIDIN-4-YL)-NAPHTHALEN-2-YL]-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS FOR THE TREATMENT OF RESPIRATORY DISORDERS HOFFMANN LA ROCHE (CH) 2017-01-18 EP disclosed
EP-2877480-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit van Gent (BE) 2015-06-03 EP disclosed
EP-2791111-A1 PIPERIDINYL NAPHTHYLACETIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-22 EP disclosed
WO-2014001204-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIVERSITEIT GENT (BE) 2014-01-03 WO disclosed
WO-2013087544-A1 PIPERIDINYL NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-20 WO disclosed
US-20130150407-A1 PIPERIDINYL NAPHTHYLACETIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-06-13 US disclosed
US-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-29 US disclosed
US-7960387-B2 2-(3-phenyl-2-piperazinyl-3,4-dihydroquinazolin-4-yl)acetic acids as antiviral agents, especially against cytomegaloviruses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-14 US disclosed
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-6750233-B2 SELECTIVITY PHARMACIA CORPORATION 2004-06-15 US disclosed
EP-0848023-B1 Low surface energy polyisocyanates and their use in one- or two-component coating compositions BAYER AG (US) 2003-08-27 EP disclosed
EP-1183239-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2002-03-06 EP disclosed
WO-2000069821-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-11-23 WO disclosed
WO-1999020617-A1 ANTIINFLAMMATORY THIADIAZOLYL UREAS WHICH ACT AS LFA-1 AND MAC-1 INHIBITORS ACTIVE BIOTECH AB (SE) 1999-04-29 WO disclosed
EP-0848023-A1 Low surface energy polyisocyanates and their use in one- or two-component coating compositions Bayer Corporation (US) 1998-06-17 EP disclosed
US-5747629-A Low surface energy polyisocyanates and their use in one-or two-component coating compositions BAYER CORPORATION (US) 1998-05-05 US disclosed
EP-0682656-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT 2C? RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-11-22 EP disclosed
WO-1994018170-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT2C RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-08-18 WO disclosed
EP-0348350-A1 Heteroatom containing perfluoroalkyl terminated neopentyl glycols and polymers therefrom CIBA-GEIGY AG (CH) 1989-12-27 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 (3 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-20120302567-A1 BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CDK2, SBK3, CDK2AP1 CYP3A4 3643/4885GABRA1 2904/4885GABRB2 3192/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 CYP3A4 3643/4885GABRA1 2904/4885GABRB2 3192/4885
US-20130150407-A1 PIPERIDINYL NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 CYP3A4 2277/4885GABRA1 352/4885GABRB2 846/4885

“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.