SCHEMBL2718964

SCHEMBL2718964

COc1nc(OCC(F)(F)F)ccc1CN(C)C(=O)c1ccnc(NC(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 5/20 0.41
GSK3B P49841 2/20 0.39
MAPT P10636 1/20 0.39
RIPK1 Q13546 5/20 0.37
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
GSK3A P49840 1/20 0.35
TGFBR1 P36897 2/20 0.35
CYP3A4 P08684 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
TGFBR2 P37173 1/20 0.35
SCN9A Q15858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL2717813 0.91 GSK3B (0.49) GSK3BMAPTGAAPOLBGSK3A
SCHEMBL2713791 0.91 GSK3B (0.38) PIK3C3GSK3BMAPTGAAPOLB
SCHEMBL2715407 0.90 GSK3B (0.48) GSK3BMAPTGSK3A
SCHEMBL2715030 0.89 RIPK1 (0.38) PIK3C3RIPK1GAASCN9A
SCHEMBL2717552 0.84 EPHX2 (0.45) GSK3BMAPTRIPK1GSK3ASCN9A
SCHEMBL2716204 0.80 ADORA3 (0.36) RIPK1GAASCN9AALDH1A1
SCHEMBL2718266 0.77 L3MBTL1 (0.42) GAAPOLBSCN9A
SCHEMBL2715735 0.76 GSK3B (0.42) PIK3C3GSK3BMAPTRIPK1GSK3A
SCHEMBL2713724 0.76 EPHX2 (0.44) GSK3BMAPTRIPK1GSK3ASCN9A
SCHEMBL2716938 0.75 GSK3B (0.55) GSK3BMAPTGSK3ASCN9A

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-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP claimed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US claimed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US claimed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP claimed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO claimed
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A PIK3C3 1903/4885GSK3B 4093/4885MAPT 3185/4885

“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.