SCHEMBL23209156

SCHEMBL23209156

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

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 7/20 0.72
HPGD P15428 3/20 0.71
BLM P54132 1/20 0.69
THRB P10828 3/20 0.66
MAPT P10636 5/20 0.65
TP53 P04637 3/20 0.65
KDM4E B2RXH2 4/20 0.64
LMNA P02545 2/20 0.64
GAA P10253 1/20 0.64
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C19 P33261 1/20 0.63
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.62
HTT P42858 1/20 0.62
RXFP1 Q9HBX9 1/20 0.60

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
SCHEMBL23267317 0.87 BCAT2 (0.70) BCAT2HPGDBLMTHRBMAPT
SCHEMBL263739 0.84 BCAT2 (1.00) BCAT2HPGDBLMTHRBMAPT
SCHEMBL265344 0.83 HPGD (1.00) BCAT2HPGDBLMTHRBMAPT
SCHEMBL19119395 0.82 BCAT2 (0.76) BCAT2HPGDBLMTHRBMAPT
SCHEMBL27273135 0.82 BCAT2 (0.76) BCAT2HPGDBLMTHRBMAPT
SCHEMBL23237651 0.81 THRB (0.65) BCAT2HPGDBLMTHRBMAPT
SCHEMBL23237561 0.81 THRB (0.65) BCAT2HPGDBLMTHRBMAPT
SCHEMBL263943 0.78 KDM4E (1.00) BCAT2HPGDBLMTHRBMAPT
SCHEMBL264414 0.76 BCAT2 (0.65) BCAT2HPGDBLMTHRBMAPT
SCHEMBL12318281 0.75 PDPK1 (0.70) BCAT2HPGDBLMTHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-114929712-A Thienopyrimidinones as TRPA1 inhibitors 勃林格殷格翰国际有限公司 2022-08-19 CN 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-11136336-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-05 US disclosed
US-11136336-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-05 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
WO-2021074196-A1 THIENOPYRIMIDONES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-22 WO disclosed
WO-2021074196-A1 THIENOPYRIMIDONES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-22 WO disclosed
US-20210107918-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 US disclosed
US-20210107918-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 US disclosed
US-20210107919-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 US disclosed
US-20210107919-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 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-11578080-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 BCAT2 4098/4885HPGD 1506/4885BLM 1711/4885
US-20210107918-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 BCAT2 4266/4885HPGD 2065/4885BLM 1950/4885
US-20210107919-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 BCAT2 4266/4885HPGD 2065/4885BLM 1950/4885
US-20210395267-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 BCAT2 4266/4885HPGD 2065/4885BLM 1950/4885
US-11136336-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 BCAT2 4098/4885HPGD 1506/4885BLM 1711/4885

“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.