SCHEMBL2716299

SCHEMBL2716299

Cc1cc(C(=O)NCc2cnc(OCC(F)(F)F)c(C)c2)nc(NC(=O)C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.40
GSK3B P49841 3/20 0.40
MAPT P10636 2/20 0.40
AAK1 Q2M2I8 4/20 0.36
PTGES O14684 3/20 0.36
KCNH2 Q12809 2/20 0.36
MMP13 P45452 1/20 0.36
GSK3A P49840 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ROCK2 O75116 2/20 0.35
GAK O14976 1/20 0.35
CHRNA1 P02708 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNA7 P36544 1/20 0.35
NR2C2 P49116 1/20 0.35
TAB1 Q15750 1/20 0.35
HIPK4 Q8NE63 1/20 0.35
MKNK2 Q9HBH9 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
SCHEMBL16234576 0.92 SCN9A (0.40) SCN9AGSK3BMAPTAAK1PTGES
SCHEMBL2717266 0.91 SCN9A (0.48) SCN9AGSK3BMAPTAAK1PTGES
SCHEMBL2718389 0.90 MAPT (0.40) SCN9AGSK3BMAPTAAK1PTGES
SCHEMBL2715879 0.90 CNR2 (0.36) SCN9AGSK3BPTGESMMP13GSK3A
SCHEMBL2715892 0.88 TSHR (0.38) SCN9AGSK3BMAPTPTGESMMP13
SCHEMBL2716005 0.86 GSK3B (0.39) GSK3BMMP13GSK3ACNR2ALDH1A1
SCHEMBL2715703 0.85 PTGES (0.46) SCN9AGSK3BMAPTPTGESKCNH2
SCHEMBL2715119 0.85 SCN9A (0.40) SCN9AGSK3BMAPTAAK1
SCHEMBL27913546 0.85 CNR2 (0.39) SCN9AMMP13ROCK2CNR2ALDH1A1
SCHEMBL2717884 0.83 ADORA2A (0.41) MMP13ROCK2CNR2CSF1RMAPK1

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 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.