SCHEMBL2716832

SCHEMBL2716832

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.50
ROCK2 O75116 11/20 0.49
ROCK1 Q13464 9/20 0.49
PRKACA P17612 2/20 0.47
CYP2C9 P11712 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
AKT1 P31749 1/20 0.47
PRKG1 Q13976 1/20 0.47
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 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
SCHEMBL2716823 0.92 GPR139 (0.52) ACACBROCK2ROCK1PRKACACYP2C9
SCHEMBL2717140 0.91 KCNK2 (0.47) ROCK2ROCK1PRKACACYP2C9PRKACG
SCHEMBL2715595 0.90 ACACB (0.50) ACACBROCK2ROCK1PRKACACYP2C9
SCHEMBL2715596 0.90 ACACB (0.50) ACACBROCK2ROCK1PRKACACYP2C9
SCHEMBL2715463 0.90 ROCK1 (0.49) ACACBROCK2ROCK1PRKACACYP2C9
SCHEMBL2717269 0.89 ACACB (0.56) ACACBROCK2MEN1LMNAMAPK1
SCHEMBL2717508 0.89 ROCK2 (0.49) ROCK2ROCK1PRKACACYP2C9PRKACG
SCHEMBL2716778 0.86 ROCK1 (0.51) ACACBROCK2ROCK1PRKACACYP2C9
SCHEMBL2718076 0.86 RIPK1 (0.46) ROCK2ROCK1PRKACACYP2C9PRKACG
SCHEMBL18266214 0.85 ROCK1 (0.49) ACACBROCK2ROCK1PRKACACYP2C9

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 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.