SCHEMBL2714843

SCHEMBL2714843

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.54
GSK3A P49840 4/20 0.54
BRAF P15056 6/20 0.53
KDR P35968 6/20 0.53
ROCK2 O75116 4/20 0.50
ROCK1 Q13464 3/20 0.50
MAPT P10636 3/20 0.49
MAPK14 Q16539 1/20 0.49
PRKG1 Q13976 2/20 0.48
CYP2C9 P11712 1/20 0.48
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
AKT1 P31749 1/20 0.48
MAPK1 P28482 1/20 0.47
GPR139 Q6DWJ6 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
SCHEMBL2717508 0.93 ROCK2 (0.49) GSK3BGSK3ABRAFKDRROCK2
SCHEMBL2715733 0.93 ROCK2 (0.49) GSK3BGSK3ABRAFKDRROCK2
SCHEMBL2715734 0.93 ROCK2 (0.49) GSK3BGSK3ABRAFKDRROCK2
SCHEMBL18266794 0.90 ROCK2 (0.47) GSK3BGSK3ABRAFKDRROCK2
SCHEMBL2714263 0.90 GSK3B (0.61) GSK3BGSK3ABRAFKDRMAPT
SCHEMBL2713938 0.89 GSK3B (0.55) GSK3BGSK3ABRAFROCK2ROCK1
SCHEMBL2716823 0.89 GPR139 (0.52) GSK3BGSK3AROCK2ROCK1PRKG1
SCHEMBL2716316 0.88 GPR139 (0.52) GSK3BGSK3AROCK2ROCK1PRKG1
SCHEMBL2715785 0.88 MAPK1 (0.49) GSK3BGSK3AROCK2ROCK1MAPT
SCHEMBL18266201 0.88 ROCK2 (0.49) GSK3BGSK3ABRAFROCK2ROCK1

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
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN claimed
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 GSK3B 4093/4885GSK3A 3959/4885BRAF 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.