SCHEMBL2717508

SCHEMBL2717508

CC(NC(=O)c1ccnc(NC(=O)C2CC2)c1)c1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.49
ROCK1 Q13464 6/20 0.49
BRAF P15056 2/20 0.48
GSK3B P49841 11/20 0.48
GSK3A P49840 6/20 0.48
MAPT P10636 6/20 0.48
KDR P35968 1/20 0.47
PRKG1 Q13976 2/20 0.47
CYP2C9 P11712 1/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
AKT1 P31749 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
SCHEMBL2714843 0.93 GSK3B (0.54) ROCK2ROCK1BRAFGSK3BGSK3A
SCHEMBL18266794 0.92 ROCK2 (0.47) ROCK2ROCK1BRAFGSK3BGSK3A
SCHEMBL2715734 0.91 ROCK2 (0.49) ROCK2ROCK1BRAFGSK3BGSK3A
SCHEMBL2715733 0.91 ROCK2 (0.49) ROCK2ROCK1BRAFGSK3BGSK3A
SCHEMBL2716985 0.90 GSK3B (0.52) GSK3BGSK3AMAPT
SCHEMBL2716832 0.89 ACACB (0.50) ROCK2ROCK1GSK3BGSK3APRKG1
SCHEMBL2715463 0.88 ROCK1 (0.49) ROCK2ROCK1GSK3BGSK3APRKG1
SCHEMBL2717140 0.88 KCNK2 (0.47) ROCK2ROCK1GSK3BGSK3AMAPT
SCHEMBL2713938 0.88 GSK3B (0.55) ROCK2ROCK1BRAFGSK3BGSK3A
SCHEMBL15350061 0.86 GSK3A (0.46) ROCK2ROCK1BRAFGSK3BGSK3A

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
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 ROCK2 4206/4885ROCK1 4570/4885BRAF 2637/4885

“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.