SCHEMBL263739

SCHEMBL263739

Cc1c(C(=O)O)sc2nc[nH]c(=O)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 7/20 1.00
HPGD P15428 4/20 0.72
KDM4E B2RXH2 4/20 0.68
LMNA P02545 2/20 0.68
GAA P10253 1/20 0.68
ALDH1A1 P00352 2/20 0.67
POLB P06746 1/20 0.67
BLM P54132 1/20 0.66
PDPK1 O15530 1/20 0.64
HTT P42858 1/20 0.62
THRB P10828 2/20 0.60
HSD17B10 Q99714 1/20 0.60
MAPT P10636 4/20 0.58
TP53 P04637 2/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL19119395 0.86 BCAT2 (0.76) BCAT2HPGDKDM4ELMNAGAA
SCHEMBL27273135 0.86 BCAT2 (0.76) BCAT2HPGDKDM4ELMNAGAA
SCHEMBL265344 0.84 HPGD (1.00) BCAT2HPGDKDM4ELMNAGAA
SCHEMBL23209156 0.84 BCAT2 (0.72) BCAT2HPGDKDM4ELMNAGAA
SCHEMBL23267317 0.82 BCAT2 (0.70) BCAT2HPGDKDM4ELMNAGAA
SCHEMBL263943 0.81 KDM4E (1.00) BCAT2HPGDKDM4ELMNAGAA
SCHEMBL23233811 0.81 BCAT2 (0.68) BCAT2HPGDKDM4ELMNAGAA
SCHEMBL264414 0.79 BCAT2 (0.65) BCAT2HPGDKDM4ELMNAGAA
SCHEMBL25908842 0.78 PDPK1 (1.00) BCAT2HPGDKDM4ELMNAGAA
SCHEMBL23237561 0.76 THRB (0.65) BCAT2HPGDKDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
CN-114929712-B Thienopyrimidinones as TRPA1 inhibitors 勃林格殷格翰国际有限公司 2024-07-23 CN disclosed
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-4045509-A1 THIENOPYRIMIDONES AS TRPA1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2022-08-24 EP 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
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed
WO-2008138126-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-20 WO disclosed
WO-2008138126-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-20 WO disclosed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 US disclosed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 US disclosed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 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 (5 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 BCAT2 2562/4885HPGD 1832/4885KDM4E 4160/4885
US-11578080-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 BCAT2 4098/4885HPGD 1506/4885KDM4E 3740/4885
US-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 BCAT2 1011/4885HPGD 226/4885KDM4E 3676/4885
US-20210395267-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 BCAT2 4266/4885HPGD 2065/4885KDM4E 3563/4885
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS CMPK1, DTYMK, NEK2 BCAT2 2273/4885HPGD 1607/4885KDM4E 2497/4885

“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.