SCHEMBL614111

SCHEMBL614111

Nc1cc(Br)sc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
KDM4E B2RXH2 5/20 0.39
GLA P06280 1/20 0.39
DAO P14920 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
IKBKB O14920 1/20 0.38
CYP3A4 P08684 1/20 0.38
BTK Q06187 1/20 0.38
MAPT P10636 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
GPR35 Q9HC97 7/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL614133 0.83 IKBKB (0.50) GSK3BKDM4ECYP1A2CYP2C9IKBKB
SCHEMBL15960083 0.81 MAPT (0.51) GSK3BKDM4ECYP1A2CYP2C9IKBKB
Lithium Ion SCHEMBL30334419 0.79 GSK3B (0.40) GSK3BKDM4ECYP1A2CYP2C9IKBKB
SCHEMBL15878596 0.77 GSK3B (0.61) GSK3BDAORXFP1PKMGPR35
SCHEMBL5493304 0.77 IKBKB (0.40) KDM4EGLACYP1A2CYP2C9IKBKB
SCHEMBL102283 0.76 KDM4E (0.53) KDM4EGLACYP1A2CYP2C9IKBKB
SCHEMBL1974281 0.76 GSK3B (0.44) GSK3BKDM4EGLADAORXFP1
SCHEMBL31223143 0.76 GSK3B (0.44) GSK3BKDM4EDAOMAPTRXFP1
SCHEMBL3229132 0.76 GPR35 (0.45) KDM4EDAOCYP1A2CYP2C9IKBKB
SCHEMBL20894252 0.74 GSK3B (0.42) GSK3BDAORXFP1PKMGPR35

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2014170403-A1 KINASE INHIBITORS UNIVERSITY OF TARTU (EE) 2014-10-23 WO disclosed
US-8853208-B2 Amino alcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-10-07 US disclosed
EP-2403857-B1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-12-04 EP disclosed
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 US disclosed
EP-2403857-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-01-11 EP disclosed
WO-2010101302-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-10 WO 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-101384605-A Novel aminoalcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI AVENTIS (FR) 2009-03-11 CN disclosed
CN-101316851-A Thienopyrimidinone derivatives as melanin concentrating hormone receptor-1 antagonists BRISTOL MYERS SQUIBB CO (US) 2008-12-03 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS CDC7, CDK7, DTYMK GSK3B 656/4885KDM4E 1319/4885GLA 4344/4885
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 GSK3B 3540/4885KDM4E 411/4885GLA 4885/4885

“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.