SCHEMBL2715029

SCHEMBL2715029

CCC(=O)Nc1nccc(C(=O)NCc2cnc(OCC(F)(F)F)c(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.48
GSK3B P49841 5/20 0.48
IDH1 O75874 5/20 0.41
CDK12 Q9NYV4 1/20 0.40
PTGES O14684 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
MAPK8 P45983 2/20 0.38
KLKB1 P03952 1/20 0.37
ROCK2 O75116 1/20 0.37
CSF1R P07333 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1D P48730 1/20 0.37
MAPK10 P53779 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
SCN9A Q15858 1/20 0.37
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL2714886 0.91 GSK3A (0.47) GSK3AGSK3BIDH1AAK1MAPK8
SCHEMBL2714333 0.89 SCN9A (0.47) GSK3AGSK3BIDH1PTGESAAK1
SCHEMBL2716154 0.88 GSK3B (0.47) GSK3AGSK3BIDH1KLKB1
SCHEMBL2716402 0.88 CDK12 (0.38) GSK3AGSK3BIDH1CDK12PTGES
SCHEMBL2715426 0.85 GSK3A (0.42) GSK3AGSK3BIDH1MAPK8KLKB1
SCHEMBL2716495 0.84 IDH1 (0.50) GSK3AGSK3BIDH1CDK12AAK1
SCHEMBL2715858 0.83 SCN9A (0.52) GSK3AGSK3BCDK12PTGESAAK1
SCHEMBL2718565 0.80 GSK3B (0.44) GSK3AGSK3BMAPK8KLKB1ROCK2
SCHEMBL2716231 0.79 GSK3B (0.45) GSK3AGSK3BAAK1
SCHEMBL2715892 0.78 TSHR (0.38) GSK3AGSK3BCDK12PTGESMAPK8

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 15 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
CN-103249721-A Arylamine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC 2013-08-14 CN 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
CN-103249721-A Arylamine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC 2013-08-14 CN 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 GSK3A 3959/4885GSK3B 4093/4885IDH1 1869/4885

“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.