SCHEMBL6948592

SCHEMBL6948592

NC(=O)Cn1cnc2cncnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.55
HDAC6 Q9UBN7 2/20 0.51
HDAC1 Q13547 1/20 0.51
LTA4H P09960 1/20 0.41
EGFR P00533 3/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
DNMT3B Q9UBC3 1/20 0.38
TRPA1 O75762 2/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
HBB P68871 1/20 0.35
KMT2A Q03164 1/20 0.35
NTRK1 P04629 1/20 0.34

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
SCHEMBL1692456 0.85 FDPS (0.56) FDPSHDAC6HDAC1LTA4HEGFR
SCHEMBL1650317 0.84 FDPS (0.52) FDPSHDAC6HDAC1LTA4HDNMT3B
SCHEMBL28126755 0.84 FDPS (0.55) FDPSHDAC6HDAC1LTA4HEGFR
SCHEMBL20305125 0.84 FDPS (0.51) FDPSHDAC6HDAC1LTA4HEGFR
SCHEMBL1797755 0.84 FDPS (0.51) FDPSHDAC6HDAC1LTA4HEGFR
SCHEMBL11904868 0.81 FDPS (0.49) FDPSHDAC6HDAC1LTA4HDNMT3B
SCHEMBL7798867 0.79 FDPS (0.52) FDPSHDAC6HDAC1LTA4HEGFR
SCHEMBL28313408 0.78 FDPS (0.49) FDPSHDAC6HDAC1LTA4HALDH1A1
SCHEMBL9936014 0.78 FDPS (0.62) FDPSHDAC6HDAC1LTA4HDNMT3B
SCHEMBL11200763 0.78 FDPS (0.54) FDPSHDAC6HDAC1LTA4HDNMT3B

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 13 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
EP-2655377-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS Glenmark Pharmaceuticals S.A. (CH) 2013-10-30 EP disclosed
CN-103261201-A 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS SA 2013-08-21 CN 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
EP-1349857-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-10-08 EP disclosed
WO-2002055521-A1 PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 WO 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 FDPS 3674/4885HDAC6 826/4885HDAC1 1115/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 FDPS 3726/4885HDAC6 771/4885HDAC1 1240/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 FDPS 3726/4885HDAC6 771/4885HDAC1 1240/4885

“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.