SCHEMBL2715892

SCHEMBL2715892

CCC(=O)Nc1nc(C)cc(C(=O)NCc2cnc(OCC(F)(F)F)c(C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
CNR2 P34972 2/20 0.35
PTGES O14684 2/20 0.35
MMP13 P45452 1/20 0.34
MAPK8 P45983 3/20 0.34
MAPK9 P45984 3/20 0.34
MAPK10 P53779 2/20 0.34
CSF1R P07333 2/20 0.34
MAPK1 P28482 2/20 0.34
PRKD2 Q9BZL6 2/20 0.34
ROCK2 O75116 1/20 0.34
CSNK1D P48730 1/20 0.34
SCN9A Q15858 1/20 0.34
MAPT P10636 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
RPS27 P42677 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL2714760 0.92 TSHR (0.37) TSHRGSK3AGSK3BCNR2PTGES
SCHEMBL2716402 0.91 CDK12 (0.38) TSHRGSK3AGSK3BPTGESMAPK8
SCHEMBL2715879 0.91 CNR2 (0.36) TSHRGSK3AGSK3BCNR2PTGES
SCHEMBL2716005 0.88 GSK3B (0.39) TSHRGSK3AGSK3BCNR2MMP13
SCHEMBL2716299 0.88 SCN9A (0.40) TSHRGSK3AGSK3BCNR2PTGES
SCHEMBL27913546 0.85 CNR2 (0.39) CNR2MMP13MAPK8MAPK9MAPK10
SCHEMBL2713691 0.85 PTGES (0.45) TSHRPTGESSCN9A
SCHEMBL2713735 0.84 PDE2A (0.39) TSHRGSK3AGSK3BCNR2
SCHEMBL2717884 0.84 ADORA2A (0.41) CNR2MMP13MAPK8MAPK9MAPK10
SCHEMBL2715783 0.83 SCN9A (0.44) CNR2PTGESSCN9ACDK12ADORA3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478497-A Aryl amine derivatives as TTX S blocker 拉夸里亚创药株式会社 2017-03-08 CN claimed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP claimed
CN-103249721-B Arylamine Derivatives as TTX-S Blockers 拉夸里亚创药株式会社 2016-10-12 CN 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 TSHR 574/4885GSK3A 3959/4885GSK3B 4093/4885

“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.