SCHEMBL2715596

SCHEMBL2715596

CC(=O)Nc1cc(C(=O)NC(C)c2cccc(OC(F)(F)C(F)(F)F)c2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.50
ROCK2 O75116 13/20 0.49
ROCK1 Q13464 12/20 0.49
PRKACA P17612 3/20 0.47
PRKG1 Q13976 3/20 0.47
CYP2C9 P11712 2/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
AKT1 P31749 1/20 0.47
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
PRKX P51817 2/20 0.45
PRKCQ Q04759 2/20 0.45
MST1R Q04912 1/20 0.45

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
SCHEMBL2715595 1.00 ACACB (0.50) ACACBROCK2ROCK1PRKACAPRKG1
SCHEMBL2716823 0.92 GPR139 (0.52) ACACBROCK2ROCK1PRKACAPRKG1
SCHEMBL2713704 0.91 GSK3B (0.47) ROCK2ROCK1PRKACAPRKG1CYP2C9
SCHEMBL2713700 0.91 GSK3B (0.47) ROCK2ROCK1PRKACAPRKG1CYP2C9
SCHEMBL2716832 0.90 ACACB (0.50) ACACBROCK2ROCK1PRKACAPRKG1
SCHEMBL2713712 0.90 ROCK1 (0.49) ACACBROCK2ROCK1PRKACAPRKG1
SCHEMBL2713710 0.90 ROCK1 (0.49) ACACBROCK2ROCK1PRKACAPRKG1
SCHEMBL2717426 0.89 ACACB (0.56) ACACBROCK2MAPK1MEN1LMNA
SCHEMBL2715734 0.89 ROCK2 (0.49) ROCK2ROCK1PRKACAPRKG1CYP2C9
SCHEMBL2715733 0.89 ROCK2 (0.49) ROCK2ROCK1PRKACAPRKG1CYP2C9

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 11 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
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

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 ACACB 1601/4885ROCK2 4206/4885ROCK1 4570/4885

“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.