SCHEMBL2714027

SCHEMBL2714027

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.41
GSK3A P49840 2/20 0.41
MAPT P10636 2/20 0.41
GAK O14976 1/20 0.36
ROCK2 O75116 1/20 0.36
CHRNA1 P02708 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNA7 P36544 1/20 0.36
NR2C2 P49116 1/20 0.36
TAB1 Q15750 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
HIPK4 Q8NE63 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
BMP2K Q9NSY1 1/20 0.36
TACR1 P25103 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
CDK12 Q9NYV4 1/20 0.35
RIOK2 Q9BVS4 1/20 0.35
HTT P42858 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
SCHEMBL2715735 0.91 GSK3B (0.42) GSK3BGSK3AMAPTGAKROCK2
SCHEMBL2717376 0.84 GSK3B (0.46) GSK3BGSK3AMAPTGAKROCK2
SCHEMBL2717005 0.82 GSK3B (0.43) GSK3BGSK3AMAPTGAKROCK2
SCHEMBL2716031 0.78 GRM5 (0.37) TACR1GPBAR1SCN9A
SCHEMBL2713791 0.77 GSK3B (0.38) GSK3BGSK3AMAPTALDH1A1CDK12
SCHEMBL2715934 0.77 GSK3B (0.49) GSK3BGSK3AMAPTGAKROCK2
SCHEMBL15350172 0.76 SCN9A (0.41) GSK3BGSK3AMAPTGAKROCK2
SCHEMBL2718796 0.76 SCN9A (0.41) GSK3BGSK3AMAPTGAKROCK2
SCHEMBL2714719 0.75 GSK3B (0.50) GSK3BGSK3AMAPTLMNAHTT
SCHEMBL2716580 0.75 GSK3B (0.46) GSK3BGSK3AMAPTAAK1LMNA

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 4093/4885GSK3A 3959/4885MAPT 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.