SCHEMBL9972889

SCHEMBL9972889

Cn1c(=O)c2c(C(C)(C)C)noc2n(C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
ADORA2A P29274 2/20 0.30
PIK3CD O00329 1/20 0.30
ALPL P05186 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
TMIGD3 P0DMS9 1/20 0.30
PDE4A P27815 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
CYP2C19 P33261 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
HIF1A Q16665 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
SCHEMBL9972905 0.69 TRPA1 (0.32) KDM4EADORA2APIK3CDADORA3ADORA2B
SCHEMBL9972876 0.69 KDM4E (0.37) KDM4EATAD2ADORA2APIK3CDALPL
SCHEMBL12323103 0.67 ALOX15 (0.37) KDM4E
SCHEMBL9972894 0.64 KDM4E (0.58) TSHRKDM4E
SCHEMBL9972895 0.64 KDM4E (0.35) KDM4EADORA2APIK3CDADORA3ADORA2B
SCHEMBL9972896 0.63 PIK3CD (0.41) TSHRKDM4EPIK3CD
SCHEMBL14373806 0.63 MAPT (0.38)
SCHEMBL14373808 0.63
SCHEMBL15472440 0.62 LMNA (0.38) KDM4EADORA2APIK3CDADORA3ADORA2B
SCHEMBL10933111 0.62 KDM4E (0.44) KDM4EATAD2ADORA2APIK3CDALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS TRPA1, TRPV1, TRPV2 TSHR 1094/4885KDM4E 4035/4885ATAD2 885/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TSHR 1080/4885KDM4E 4154/4885ATAD2 718/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 TSHR 1080/4885KDM4E 4154/4885ATAD2 718/4885

“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.