SCHEMBL2716588

SCHEMBL2716588

COc1cc(OC(F)(F)F)ccc1CNC(=O)c1ccnc(NC(=O)C2CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GSK3B P49841 3/20 0.43
IGF1R P08069 2/20 0.42
ALK Q9UM73 2/20 0.42
KDR P35968 7/20 0.41
BRAF P15056 5/20 0.41
PDE4B Q07343 1/20 0.41
JAK1 P23458 1/20 0.41
EPHX2 P34913 2/20 0.40
GSK3A P49840 1/20 0.40
MAPK14 Q16539 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39

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
SCHEMBL2718071 0.88 ALDH1A1 (0.52) ALDH1A1TSHRNPSR1PDE4BJAK1
SCHEMBL2715423 0.87 KDR (0.47) GSK3BKDRBRAFJAK1GSK3A
SCHEMBL2717549 0.84 GSK3B (0.54) ALDH1A1TSHRNPSR1GSK3BKDR
SCHEMBL2715766 0.82 JAK1 (0.52) GSK3BIGF1RALKKDRBRAF
SCHEMBL18266776 0.82 GSK3B (0.38) GSK3BIGF1RKDRBRAFJAK1
SCHEMBL18266691 0.81 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1PDE4BEPHX2
SCHEMBL2718638 0.81 EPHX2 (0.42) GSK3BIGF1RALKKDRBRAF
SCHEMBL18266275 0.80 KDR (0.40) KDRBRAF
SCHEMBL2714860 0.80 EPHX2 (0.42) GSK3BKDRBRAFEPHX2MAPK14
SCHEMBL2716987 0.79 BRAF (0.44) GSK3BIGF1RALKKDRBRAF

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 ALDH1A1 1358/4885TSHR 574/4885NPSR1 391/4885

“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.