SCHEMBL2716778

SCHEMBL2716778

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 14/20 0.51
ROCK2 O75116 13/20 0.51
ACACB O00763 3/20 0.50
PRKACA P17612 3/20 0.48
GSK3B P49841 3/20 0.48
PRKG1 Q13976 3/20 0.48
GSK3A P49840 2/20 0.48
PRKX P51817 2/20 0.48
DYRK3 O43781 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48
AKT2 P31751 1/20 0.48
IRAK1 P51617 1/20 0.48
CDK5 Q00535 1/20 0.48
PRKCD Q05655 1/20 0.48
PRKG2 Q13237 1/20 0.48
PKN2 Q16513 1/20 0.48
MINK1 Q8N4C8 1/20 0.48
HIPK4 Q8NE63 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL18266214 0.93 ROCK1 (0.49) ROCK1ROCK2ACACBPRKACAGSK3B
SCHEMBL2715556 0.91 GSK3B (0.58) ROCK1ROCK2PRKACAGSK3BPRKG1
SCHEMBL2716816 0.91 ROCK1 (0.49) ROCK1ROCK2PRKACAGSK3BPRKG1
SCHEMBL2717673 0.89 ACACB (0.61) ACACBGSK3BGSK3AMAPTMEN1
SCHEMBL2713938 0.89 GSK3B (0.55) ROCK1ROCK2PRKACAGSK3BPRKG1
SCHEMBL2716823 0.88 GPR139 (0.52) ROCK1ROCK2ACACBPRKACAGSK3B
SCHEMBL2717311 0.87 GSK3B (0.49) ACACBGSK3BGSK3ACYP2C9MAPT
SCHEMBL2714808 0.87 ROCK2 (0.44) ROCK1ROCK2PRKACAGSK3BPRKG1
SCHEMBL2716832 0.86 ACACB (0.50) ROCK1ROCK2ACACBPRKACAGSK3B
SCHEMBL2715595 0.86 ACACB (0.50) ROCK1ROCK2ACACBPRKACAGSK3B

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

“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.