SCHEMBL265344

SCHEMBL265344

COC(=O)c1sc2nc[nH]c(=O)c2c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 1.00
KDM4E B2RXH2 4/20 0.76
LMNA P02545 2/20 0.76
GAA P10253 1/20 0.76
ALDH1A1 P00352 2/20 0.74
POLB P06746 1/20 0.74
HTT P42858 1/20 0.73
BCAT2 O15382 5/20 0.72
HSD17B10 Q99714 1/20 0.66
MAPT P10636 4/20 0.65
BLM P54132 1/20 0.62
TP53 P04637 3/20 0.60
RXFP1 Q9HBX9 1/20 0.60
THRB P10828 2/20 0.59
PDPK1 O15530 1/20 0.59
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
ATM Q13315 1/20 0.56

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
SCHEMBL263943 0.86 KDM4E (1.00) HPGDKDM4ELMNAGAAALDH1A1
SCHEMBL263739 0.84 BCAT2 (1.00) HPGDKDM4ELMNAGAAALDH1A1
SCHEMBL23209156 0.83 BCAT2 (0.72) HPGDKDM4ELMNAGAAALDH1A1
SCHEMBL27273135 0.82 BCAT2 (0.76) HPGDKDM4ELMNAGAAALDH1A1
SCHEMBL19119395 0.82 BCAT2 (0.76) HPGDKDM4ELMNAGAAALDH1A1
SCHEMBL23267317 0.82 BCAT2 (0.70) HPGDKDM4ELMNAGAAALDH1A1
SCHEMBL17723130 0.77 HPGD (0.62) HPGDKDM4ELMNAGAAALDH1A1
SCHEMBL264414 0.76 BCAT2 (0.65) HPGDKDM4ELMNAGAAALDH1A1
SCHEMBL23237651 0.76 THRB (0.65) HPGDKDM4ELMNAGAAHTT
SCHEMBL23237561 0.76 THRB (0.65) HPGDKDM4ELMNAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945408-B Thienopyrimidinones as TRPA1 inhibitors 勃林格殷格翰国际有限公司 2024-04-16 CN disclosed
US-11578080-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-02-14 US disclosed
US-11578080-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-02-14 US disclosed
CN-114945408-A Thienopyrimidinones as TRPA1 inhibitors 勃林格殷格翰国际有限公司 2022-08-26 CN disclosed
EP-4045144-A1 THIENOPYRIMIDONES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-08-24 EP disclosed
US-20210395267-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INT (DE) 2021-12-23 US disclosed
US-20210395267-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INT (DE) 2021-12-23 US disclosed
WO-2021074197-A1 THIENOPYRIMIDONES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-22 WO disclosed
WO-2021074197-A1 THIENOPYRIMIDONES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-22 WO disclosed
US-20210107919-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 US disclosed
US-8853193-B2 Thienopyrimidines containing a substituted alkyl group for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-8853193-B2 Thienopyrimidines containing a substituted alkyl group for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-8133998-B2 Bicyclic pyrimidine derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2012-03-13 US disclosed
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011104340-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO disclosed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 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 (6 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-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1G, RYR1 HPGD 1832/4885KDM4E 4160/4885LMNA 2366/4885
US-11578080-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 HPGD 1506/4885KDM4E 3740/4885LMNA 4151/4885
US-20210107919-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 HPGD 2065/4885KDM4E 3563/4885LMNA 4265/4885
US-20210395267-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 HPGD 2065/4885KDM4E 3563/4885LMNA 4265/4885
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS CMPK1, DTYMK, NEK2 HPGD 1607/4885KDM4E 2497/4885LMNA 3263/4885
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 HPGD 1495/4885KDM4E 769/4885LMNA 1994/4885

“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.