SCHEMBL2715052

SCHEMBL2715052

CC(=O)Nc1cc(C(=O)NCc2cnc(OCC(F)(F)F)c(C)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.47
MAPT P10636 4/20 0.47
GSK3A P49840 3/20 0.45
SCN9A Q15858 1/20 0.44
GRK2 P25098 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.40
HTT P42858 2/20 0.39
RIPK1 Q13546 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KLKB1 P03952 1/20 0.39
MAP4K1 Q92918 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL2714209 0.91 SCN9A (0.42) GSK3BMAPTGSK3ASCN9AGRK2
SCHEMBL2717376 0.91 GSK3B (0.46) GSK3BMAPTGSK3ASCN9AL3MBTL1
SCHEMBL2715625 0.90 GSK3B (0.47) GSK3BMAPTGSK3ASCN9AGRK2
SCHEMBL2715223 0.90 GSK3B (0.61) GSK3BMAPTGSK3ASCN9AL3MBTL1
SCHEMBL2718782 0.90 GSK3B (0.51) GSK3BMAPTGSK3ASCN9AGRK2
SCHEMBL2715374 0.90 GSK3B (0.47) GSK3BMAPTGSK3ASCN9AGRK2
SCHEMBL2716945 0.90 SCN9A (0.54) GSK3BMAPTGSK3ASCN9AGRK2
SCHEMBL2714022 0.89 GSK3B (0.60) GSK3BMAPTGSK3A
SCHEMBL2719835 0.89 GSK3B (0.48) GSK3BMAPTGSK3ASCN9AL3MBTL1
SCHEMBL2717568 0.89 GSK3B (0.43) GSK3BMAPTGSK3ASCN9AGRK2

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 3185/4885GSK3A 3959/4885

“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.