SCHEMBL2715414

SCHEMBL2715414

CC(=O)Nc1cc(C(=O)NCc2cccc(OC(F)(F)F)c2F)ccn1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.52
GRK2 P25098 1/20 0.46
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 1/20 0.44
EPHX2 P34913 3/20 0.43
HSD17B13 Q7Z5P4 1/20 0.43
NTRK1 P04629 1/20 0.43
CYP3A4 P08684 2/20 0.42
AAK1 Q2M2I8 2/20 0.42
ALOX5 P09917 1/20 0.42
MAPK1 P28482 1/20 0.42
PPARG P37231 1/20 0.41

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
SCHEMBL2715197 0.90 NTRK1 (0.45) RIPK1ROCK2ROCK1EPHX2HSD17B13
SCHEMBL2717564 0.90 MAPT (0.51) RIPK1ROCK2ROCK1EPHX2HSD17B13
SCHEMBL2713580 0.88 GSK3B (0.50)
SCHEMBL2715976 0.85 RIPK1 (0.57) RIPK1ROCK2ROCK1EPHX2HSD17B13
SCHEMBL2714842 0.85 GRK2 (0.55) GRK2EPHX2PPARG
SCHEMBL2715255 0.81 RIPK1 (0.48) RIPK1ROCK2ROCK1CYP3A4AAK1
SCHEMBL2716253 0.81 RIPK1 (0.61) RIPK1
SCHEMBL2717043 0.81 SCN3A (0.49) RIPK1ROCK2CYP3A4AAK1
SCHEMBL27931932 0.81 KMT2A (0.52) ROCK2ROCK1EPHX2HSD17B13CYP3A4
SCHEMBL2714802 0.80 ROCK2 (0.60) RIPK1ROCK2ROCK1NTRK1

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 RIPK1 4666/4885GRK2 887/4885ROCK2 4206/4885

“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.