SCHEMBL9934185

SCHEMBL9934185

NC(=O)Cn1ncc2cncnc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36
NTRK1 P04629 3/20 0.35
LMNA P02545 2/20 0.34
SYK P43405 1/20 0.33
XDH P47989 1/20 0.32
KMO O15229 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
S1PR1 P21453 1/20 0.31
FDPS P14324 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
SCHEMBL479505 0.85 KMO (0.44) NTRK1LMNAKMOKDM4EMAPK1
SCHEMBL13663047 0.77 PARP1 (0.47) ABL1BCRPIK3CDPIK3CAPIK3CB
SCHEMBL2186841 0.75 CYP1A2 (0.43) ABL1BCRLMNAIRAK4MAPK1
SCHEMBL2244617 0.74 XDH (0.46) ABL1BCRPIK3CDLMNAXDH
SCHEMBL9983135 0.71 NPC1 (0.41) ABL1BCRXDHKDM4EMAPK1
SCHEMBL31162924 0.71 NPC1 (0.41) ABL1BCRXDHKDM4EMAPK1
SCHEMBL24784034 0.71 NOTUM (0.52) NTRK1
SCHEMBL22494376 0.70 PI4KA (0.34) XDHIRAK4KDM4EMAPK1
SCHEMBL10424851 0.70 ADORA2A (0.39) LMNAFDPS
SCHEMBL17261540 0.69 HCAR2 (0.33) LMNAIRAK4MAPK1FDPS

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
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
EP-2655377-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS Glenmark Pharmaceuticals S.A. (CH) 2013-10-30 EP disclosed
WO-2012085662-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-28 WO 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 ABL1 3147/4885BCR 3082/4885PIK3CD 3246/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 ABL1 3343/4885BCR 2896/4885PIK3CD 3521/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 ABL1 3343/4885BCR 2896/4885PIK3CD 3521/4885

“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.