SCHEMBL799433

SCHEMBL799433

Cc1sc2c(c1C)c(=O)n(C)c(=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.45
TP53 P04637 3/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
MAPT P10636 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL13834710 0.81 ERCC5 (0.33) ADORA2BALDH1A1ERCC5FEN1
SCHEMBL20014569 0.79 ADORA2B (0.37) ADORA2BTP53MAPK1USP2ALDH1A1
SCHEMBL9972907 0.78 ERCC5 (0.32) ADORA2BALDH1A1ERCC5FEN1
SCHEMBL9972904 0.78 ALDH1A1 (0.39) ADORA2BALDH1A1TRPC5
SCHEMBL9972877 0.78 KMT2A (0.33) ADORA2BMAPK1ALDH1A1ERCC5FEN1
SCHEMBL13834835 0.74 TRPA1 (0.38) ADORA2BTP53ALDH1A1LMNA
SCHEMBL13834829 0.73 TRPA1 (0.46) ADORA2BALDH1A1LMNATRPC5ERCC5
SCHEMBL13835019 0.73 TRPA1 (0.37) ADORA2BUSP2ALDH1A1
SCHEMBL13175034 0.72 TRPA1 (0.45) ALDH1A1HTTALOX15TRPC5MAPT
SCHEMBL14181375 0.69 MAPK1 (0.43) ADORA2BMAPK1USP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346822-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
EP-2655377-B1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS SA (CH) 2016-03-30 EP disclosed
US-9073955-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-07-07 US disclosed
US-8889862-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-11-18 US disclosed
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-07 US disclosed
US-8735401-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-27 US disclosed
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-20 US disclosed
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-13 US disclosed
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-06-21 US disclosed
US-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
US-8058280-B2 Substituted thieno[2,3-d]pyrimidin-2,4-dione compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-15 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-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 ADORA2B 820/4885TP53 1768/4885MAPK1 2016/4885
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS TRPA1, TRPV1, TRPV2 ADORA2B 187/4885TP53 2623/4885MAPK1 2168/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 ADORA2B 140/4885TP53 3238/4885MAPK1 1705/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 ADORA2B 140/4885TP53 3238/4885MAPK1 1705/4885
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 ADORA2B 820/4885TP53 1768/4885MAPK1 2016/4885

“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.