SCHEMBL4178201

SCHEMBL4178201

COC(=O)c1sc(C#CC2CC2)cc1/N=C/N(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
IKBKB O14920 1/20 0.38
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4178206 1.00 ALDH1A1 (0.38) ALDH1A1TSHRHTTIKBKBKMT2A
Hydrochloric Acid SCHEMBL4775305 0.76 IKBKB (0.45) ALDH1A1TSHRHTTIKBKBKMT2A
SCHEMBL4253150 0.75 IKBKB (0.47) ALDH1A1TSHRHTTIKBKBKMT2A
SCHEMBL318394 0.75 IKBKB (0.44) ALDH1A1TSHRHTTIKBKBKMT2A
SCHEMBL4167134 0.75 ALDH1A1 (0.49) ALDH1A1TSHRHTTKMT2AMAPK1
SCHEMBL4167131 0.75 ALDH1A1 (0.49) ALDH1A1TSHRHTTKMT2AMAPK1
SCHEMBL1531396 0.74 ALDH1A1 (0.45) ALDH1A1TSHRHTTKMT2AMAPK1
SCHEMBL1531393 0.74 ALDH1A1 (0.45) ALDH1A1TSHRHTTKMT2AMAPK1
SCHEMBL4181600 0.74 ALDH1A1 (0.39) ALDH1A1TSHRHTTKMT2AMAPK1
SCHEMBL4181610 0.74 ALDH1A1 (0.39) ALDH1A1TSHRHTTKMT2AMAPK1

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 9 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
US-8853208-B2 Amino alcohol-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-8828991-B2 Azacyclyl-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-09 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
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-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 (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-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MPI, TPMT ALDH1A1 1981/4885TSHR 533/4885HTT 926/4885
US-20090076002-A1 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS AADAT, PNMT, MCHR1 ALDH1A1 100/4885TSHR 783/4885HTT 1625/4885

“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.