SCHEMBL2714802

SCHEMBL2714802

CC(=O)Nc1cc(C(=O)NCc2cccc(OC(F)(F)F)c2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.60
ROCK1 Q13464 3/20 0.60
MAPK14 Q16539 1/20 0.58
RIPK1 Q13546 6/20 0.53
NAMPT P43490 1/20 0.53
AKR1C3 P42330 1/20 0.51
HTR2C P28335 1/20 0.50
MMP13 P45452 1/20 0.49
KCNB1 Q14721 1/20 0.49
GLS O94925 1/20 0.48
CHRM3 P20309 1/20 0.48
NTRK1 P04629 1/20 0.47

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
SCHEMBL2715983 0.90 ROCK2 (0.58) ROCK2ROCK1MAPK14NAMPTAKR1C3
SCHEMBL2715103 0.89 KCNB1 (0.60) ROCK2ROCK1MAPK14NAMPTAKR1C3
SCHEMBL2714276 0.89 ROCK2 (0.52) ROCK2ROCK1MMP13KCNB1
SCHEMBL2714984 0.89 EPHX2 (0.57) RIPK1NAMPTAKR1C3HTR2C
SCHEMBL2712677 0.87 ROCK2 (0.57) ROCK2ROCK1MAPK14NAMPTCHRM3
SCHEMBL2715710 0.87 SCN10A (0.46) ROCK2ROCK1MAPK14RIPK1HTR2C
SCHEMBL2715651 0.87 ROCK2 (0.55) ROCK2ROCK1MAPK14NAMPTAKR1C3
SCHEMBL27931717 0.85 ROCK2 (0.65) ROCK2ROCK1MAPK14NAMPTAKR1C3
SCHEMBL2715195 0.85 MAPK14 (0.57) ROCK2ROCK1MAPK14RIPK1NAMPT
SCHEMBL2715062 0.84 MLYCD (0.58) ROCK2ROCK1MAPK14RIPK1

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 12 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

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 ROCK2 4206/4885ROCK1 4570/4885MAPK14 4258/4885

“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.