SCHEMBL3084892

SCHEMBL3084892

Nc1cnc(-c2cc(F)ccc2C(F)(F)F)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.43
SCN2A Q99250 1/20 0.42
ALOX5AP P20292 4/20 0.38
FEN1 P39748 4/20 0.38
IDO1 P14902 2/20 0.36
PIK3CD O00329 1/20 0.35
ABL1 P00519 2/20 0.35
MET P08581 1/20 0.35
CYP17A1 P05093 1/20 0.34
BACE1 P56817 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
SCHEMBL3093233 0.80 DPP4 (0.47) TRPA1SCN2AALOX5APFEN1MET
SCHEMBL30568360 0.71 TRPA1 (0.49) TRPA1IDO1
SCHEMBL21131387 0.71 TRPA1 (0.49) TRPA1IDO1
SCHEMBL3072112 0.68 ALOX5AP (0.49) TRPA1SCN2AALOX5APFEN1
SCHEMBL19927757 0.68 ABL1 (0.44) TRPA1ABL1BACE1
SCHEMBL29464972 0.68 ABL1 (0.44) TRPA1ABL1BACE1
SCHEMBL4018095 0.67 PLAU (0.47) ALOX5APFEN1MET
SCHEMBL17963885 0.65 BACE1 (0.36) SCN2AALOX5APFEN1CYP17A1BACE1
SCHEMBL22117199 0.65 BACE1 (0.43) TRPA1BACE1
SCHEMBL3077316 0.64 SCN2A (0.51) SCN2AALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227872-A1 PYRAZINE DERIVATIVES KEMP MARK IAN 2010-09-09 US disclosed
EP-2155727-A1 N-[6-AMINO-5-(PHENYL)PYRAZIN-2-YL]-ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2010-02-24 EP disclosed
WO-2008135830-A1 N- [6-AMINO-S- (PHENYL) PYRAZIN-2-YL] -ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2008-11-13 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 (1 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-20100227872-A1 PYRAZINE DERIVATIVES CYP3A5, TRPV5, TRPV1 TRPA1 9/4885SCN2A 150/4885ALOX5AP 504/4885

“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.