SCHEMBL9933772

SCHEMBL9933772

CC(=O)Nc1ncc2ccsc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.41
AGER Q15109 1/20 0.38
TKT P29401 1/20 0.38
FGFR1 P11362 1/20 0.38
PIK3CA P42336 1/20 0.38
MAP3K5 Q99683 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 1/20 0.37
NPC1 O15118 3/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL454246 0.74 AGER (0.44) AGERKDM4ENPC1HSD17B10RAB9A
SCHEMBL20271932 0.71 MEN1 (0.36) PTK2FGFR1NPC1MAPK1LMNA
Hydrochloric Acid SCHEMBL27786826 0.70 MEN1 (0.35) PTK2FGFR1MAPK1MEN1KMT2A
Acetamide SCHEMBL9933180 0.70 NPC1 (0.38) PTK2FGFR1KDM4ENPC1MAPK1
SCHEMBL1483456 0.70 MAP3K5 (0.68) PIK3CAMAP3K5ADORA3KDM4EHSP90AA1
SCHEMBL5464684 0.69 DHODH (0.38) FGFR1KDM4ECYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL27786824 0.69 MEN1 (0.34) FGFR1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL19736365 0.69 PIK3C3 (0.47) FGFR1PIK3CAMAP3K5ADORA3KDM4E
SCHEMBL31412961 0.68 ROCK2 (0.47) FGFR1PIK3CAMAP3K5ADORA3KDM4E
SCHEMBL9933774 0.68 HTT (0.39) MAPK1LMNARAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-103261201-B 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS SA 2015-04-22 CN 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-8592398-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-11-26 US disclosed
CN-103261201-A 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS SA 2013-08-21 CN 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 PTK2 3020/4885AGER 380/4885TKT 2730/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 PTK2 2734/4885AGER 431/4885TKT 2886/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 PTK2 2734/4885AGER 431/4885TKT 2886/4885

“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.