SCHEMBL2714778

SCHEMBL2714778

CC(C)C(=O)Nc1cc(C(=O)NC(C)c2ccnc(OCC(F)(F)F)c2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.59
MAPT P10636 9/20 0.59
SCN9A Q15858 1/20 0.49
KCNB1 Q14721 1/20 0.47
EPHX2 P34913 1/20 0.46
GSK3A P49840 2/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 4/20 0.41
FDPS P14324 1/20 0.40

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
SCHEMBL2717214 0.89 GSK3B (0.47) GSK3BMAPTSCN9AKCNB1EPHX2
SCHEMBL2716103 0.89 SCN9A (0.47) GSK3BMAPTSCN9AKCNB1EPHX2
SCHEMBL2716090 0.89 GSK3B (0.60) GSK3BMAPTSCN9AEPHX2GSK3A
SCHEMBL2714044 0.87 GSK3B (0.60) GSK3BMAPTSCN9AGSK3AMEN1
SCHEMBL15350433 0.87 MAPT (0.53) GSK3BMAPTSCN9AKCNB1EPHX2
SCHEMBL2715556 0.87 GSK3B (0.58) GSK3BMAPTSCN9AKCNB1GSK3A
SCHEMBL15350144 0.85 MAPT (0.53) GSK3BMAPTSCN9AKCNB1ACACB
SCHEMBL2716127 0.85 GSK3B (0.61) GSK3BMAPTSCN9AKCNB1GSK3A
SCHEMBL15350105 0.84 GSK3B (0.57) GSK3BMAPTSCN9AKCNB1GSK3A
SCHEMBL2713492 0.84 GSK3B (0.57) GSK3BMAPTSCN9AKCNB1EPHX2

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 GSK3B 4093/4885MAPT 3185/4885SCN9A 31/4885

“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.