SCHEMBL2714760

SCHEMBL2714760

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
KLKB1 P03952 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
CHRM4 P08173 1/20 0.36
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
PTGES O14684 2/20 0.34
MMP13 P45452 2/20 0.34
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 2/20 0.34
ROCK2 O75116 1/20 0.34
CSF1R P07333 1/20 0.34
MAPK1 P28482 1/20 0.34
CSNK1D P48730 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
CNR2 P34972 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
SCHEMBL2715892 0.92 TSHR (0.38) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL2716402 0.90 CDK12 (0.38) TSHRGSK3AGSK3BPTGESMAPK8
SCHEMBL2717211 0.89 GSK3B (0.38) TSHRKLKB1CHRM4GSK3AGSK3B
SCHEMBL16234576 0.88 SCN9A (0.40) TSHRKLKB1CHRM4GSK3AGSK3B
SCHEMBL2713691 0.84 PTGES (0.45) TSHRKLKB1PTGESSCN9A
SCHEMBL2714447 0.84 SCN9A (0.44) KLKB1ADORA3ADORA2AADORA1CHRM4
SCHEMBL2715879 0.82 CNR2 (0.36) TSHRGSK3AGSK3BPTGESMMP13
SCHEMBL2716857 0.82 RIPK1 (0.40) MAPK1CNR2
SCHEMBL2716818 0.81 GSK3B (0.38) TSHRGSK3AGSK3BMMP13CNR2
SCHEMBL27931740 0.81 MMP13 (0.48) KLKB1CHRM4MMP13CNR2

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 TSHR 574/4885KLKB1 4560/4885ADORA3 1859/4885

“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.