SCHEMBL2715735

SCHEMBL2715735

CC(=O)Nc1cc(C(=O)N(C)Cc2cnc(OCC(F)(F)F)c(C)c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.42
MAPT P10636 2/20 0.42
PIK3C3 Q8NEB9 6/20 0.40
GSK3A P49840 2/20 0.40
AAK1 Q2M2I8 2/20 0.37
GAK O14976 1/20 0.37
ROCK2 O75116 1/20 0.37
CHRNA1 P02708 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNA7 P36544 1/20 0.37
NR2C2 P49116 1/20 0.37
TAB1 Q15750 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
TACR1 P25103 3/20 0.37
HTT P42858 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
SCN9A Q15858 1/20 0.36
RIPK1 Q13546 1/20 0.35

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
SCHEMBL2714027 0.91 GSK3B (0.41) GSK3BMAPTGSK3AAAK1GAK
SCHEMBL2716031 0.87 GRM5 (0.37) TACR1GPBAR1SCN9ARIPK1PIK3CA
SCHEMBL2715052 0.83 GSK3B (0.47) GSK3BMAPTGSK3AAAK1GAK
SCHEMBL2718098 0.82 GSK3B (0.45) GSK3BMAPTPIK3C3GSK3AAAK1
SCHEMBL2718964 0.76 PIK3C3 (0.41) GSK3BMAPTPIK3C3GSK3AAAK1
SCHEMBL2716385 0.76 GSK3B (0.50) GSK3BMAPTGSK3AAAK1GAK
SCHEMBL27931818 0.76 TACR1 (0.43) GSK3BMAPTGSK3ATACR1GPBAR1
SCHEMBL2714209 0.75 SCN9A (0.42) GSK3BMAPTGSK3AAAK1GAK
SCHEMBL2717376 0.74 GSK3B (0.46) GSK3BMAPTGSK3AAAK1GAK
SCHEMBL2717016 0.74 GRM5 (0.41) TACR1SCN9A

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 GSK3B 4093/4885MAPT 3185/4885PIK3C3 1903/4885

“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.