SCHEMBL2716809

SCHEMBL2716809

CC(C)C(=O)Nc1cc(C(=O)NC(C)c2cnc(OCC(F)(F)F)c(Cl)c2)ccn1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.62
GSK3B P49841 11/20 0.60
MAPT P10636 9/20 0.60
IDH1 O75874 5/20 0.45
GSK3A P49840 2/20 0.43
TYK2 P29597 1/20 0.41
ROCK2 O75116 1/20 0.41
NR2C2 P49116 1/20 0.41
MAP2K1 Q02750 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
BMP2K Q9NSY1 1/20 0.41

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
SCHEMBL2716135 0.92 SCN9A (0.52) SCN9AGSK3BMAPTIDH1GSK3A
SCHEMBL2715674 0.90 SCN9A (0.51) SCN9AGSK3BMAPTIDH1GSK3A
SCHEMBL2713908 0.90 GSK3B (0.61) SCN9AGSK3BMAPTGSK3AROCK2
SCHEMBL2713253 0.90 GSK3B (0.61) SCN9AGSK3BMAPTGSK3A
SCHEMBL2718053 0.89 GSK3B (0.60) SCN9AGSK3BMAPTGSK3AROCK2
SCHEMBL2717893 0.89 GSK3B (0.57) SCN9AGSK3BMAPTGSK3ATYK2
SCHEMBL4550821 0.89 GSK3B (0.59) SCN9AGSK3BMAPTGSK3A
SCHEMBL2716596 0.89 GSK3B (0.61) SCN9AGSK3BMAPTGSK3AAAK1
SCHEMBL2715485 0.88 MAPT (0.59) SCN9AGSK3BMAPTTYK2
SCHEMBL2715589 0.88 GSK3B (0.60) SCN9AGSK3BMAPTGSK3AROCK2

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
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 SCN9A 31/4885GSK3B 4093/4885MAPT 3185/4885

“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.