SCHEMBL4180845

SCHEMBL4180845

COC(=O)c1sc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
COMT P21964 1/20 0.42
VCAM1 P19320 1/20 0.41
SLC10A6 Q3KNW5 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
USP10 Q14694 1/20 0.39
PPARG P37231 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3231061 0.82 USP10 (0.48) ALDH1A1COMTVCAM1SLC10A6PDGFRB
SCHEMBL4159524 0.80 CASP6 (0.42) LMNATSHR
SCHEMBL3550374 0.78 RAF1 (0.47) VCAM1MAPT
SCHEMBL13315269 0.78 RAF1 (0.46) ALDH1A1COMTVCAM1SLC10A6PDGFRB
SCHEMBL3884373 0.78 ALDH1A1 (0.40) ALDH1A1COMTVCAM1SLC10A6PDGFRB
SCHEMBL319034 0.75 GSK3B (0.53) ALDH1A1PPARGNCOA1NPSR1NCOA3
SCHEMBL3880847 0.74 USP10 (0.47) ALDH1A1VCAM1SLC10A6PDGFRBFGFR1
SCHEMBL2730725 0.74 MAPT (0.44) ALDH1A1PPARGNCOA1NPSR1NCOA3
SCHEMBL1374020 0.74 TSHR (0.44) COMTPPARGNCOA1NPSR1NCOA3
SCHEMBL1971697 0.74 MAPT (0.44) ALDH1A1PPARGNCOA1NPSR1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884066-B 2, 3, 5-substituted thiophene compounds as protein kinase inhibitors 韩国科学技术研究院 2021-08-24 CN disclosed
EP-3418275-B1 NOVEL 2,3,5-SUBSTITUTED THIOPHENE COMPOUND AS PROTEIN KINASE INHIBITOR KOREA INST SCI & TECH (KR) 2021-03-17 EP disclosed
US-10442796-B2 2,3,5-substituted thiophene compound as protein kinase inhibitor KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-10-15 US disclosed
US-20190047993-A1 Novel 2,3,5-substituted thiophene compound as protein kinase inhibitor KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-02-14 US disclosed
EP-3418275-A1 NOVEL 2,3,5-SUBSTITUTED THIOPHENE COMPOUND AS PROTEIN KINASE INHIBITOR Korea Institute of Science and Technology (KR) 2018-12-26 EP disclosed
WO-2017142325-A1 NOVEL 2,3,5-SUBSTITUTED THIOPHENE COMPOUND AS PROTEIN KINASE INHIBITOR 한국과학기술연구원 2017-08-24 WO disclosed
EP-1987042-B1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2015-01-21 EP disclosed
EP-1987042-B1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2015-01-21 EP disclosed
US-8853208-B2 Amino alcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-8853208-B2 Amino alcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-19 US disclosed
CN-101370501-A Novel azacycly-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI AVENTIS (FR) 2009-02-18 CN disclosed
EP-1986646-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
EP-1987042-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS sanofi-aventis (FR) 2008-11-05 EP disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed
WO-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO 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-10442796-B2 2,3,5-substituted thiophene compound as protein kinase inhibitor CDK2, CDK2AP2, MAP3K5 ALDH1A1 4111/4885COMT 3386/4885VCAM1 3041/4885
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MPI, TPMT ALDH1A1 1981/4885COMT 379/4885VCAM1 4019/4885
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 ALDH1A1 100/4885COMT 101/4885VCAM1 1397/4885
US-20190047993-A1 Novel 2,3,5-substituted thiophene compound as protein kinase inhibitor MAP3K5, MAP3K6, MAP3K9 ALDH1A1 4145/4885COMT 3649/4885VCAM1 2899/4885

“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.