SCHEMBL3093233

SCHEMBL3093233

Nc1cnc(-c2ccccc2C(F)(F)F)c(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
ATR Q13535 2/20 0.45
BACE1 P56817 2/20 0.44
SCN2A Q99250 1/20 0.42
CDC7 O00311 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
PTPN1 P18031 1/20 0.40
MET P08581 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 2/20 0.39
MPL P40238 1/20 0.39

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
SCHEMBL3084892 0.80 TRPA1 (0.43) ALOX5APFEN1BACE1SCN2AMET
SCHEMBL3072112 0.77 ALOX5AP (0.49) ALOX5APFEN1SCN2AMPLHSD11B1
SCHEMBL3698936 0.75 CSNK1A1 (0.51) DPP4ATRBACE1SCN2ACDC7
SCHEMBL2421429 0.75 SCN2A (0.57) DPP4ALOX5APFEN1SCN2AMAPK1
SCHEMBL17963885 0.74 BACE1 (0.36) ALOX5APFEN1ATRBACE1SCN2A
SCHEMBL2413873 0.73 SCN2A (0.44) ATRBACE1SCN2ACDK2CYP3A4
SCHEMBL3362241 0.72 ATR (0.46) ALOX5APFEN1ATRBACE1PTPN1
SCHEMBL29114862 0.72 DHFR (0.47) DPP4ALOX5APFEN1ATRBACE1
SCHEMBL3362920 0.72 PTPN1 (0.52) DPP4ATRCDC7CCNE1CDK2
SCHEMBL16513207 0.71 LIMK1 (0.44) DPP4ALOX5APFEN1ATRBACE1

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 DPP4 601/4885ALOX5AP 504/4885FEN1 4873/4885

“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.