SCHEMBL2715976

SCHEMBL2715976

CC(=O)Nc1cc(C(=O)NCc2cccc(OC(F)(F)F)c2F)cc(C)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 13/20 0.57
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
EPHX2 P34913 2/20 0.42
PPARG P37231 2/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
HSD17B13 Q7Z5P4 2/20 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
SCHEMBL2714267 0.91 RIPK1 (0.48) RIPK1ADORA2AADORA2BADORA1EPHX2
SCHEMBL2714691 0.91 RIPK1 (0.48) RIPK1ADORA2AADORA2BADORA1EPHX2
SCHEMBL2715536 0.90 RIPK1 (0.48) RIPK1ADORA2AADORA2BADORA1EPHX2
SCHEMBL2715414 0.85 RIPK1 (0.52) RIPK1EPHX2PPARGROCK2ROCK1
SCHEMBL2717503 0.85 CD38 (0.48) RIPK1EPHX2PPARG
SCHEMBL18266341 0.84 SCN9A (0.47) RIPK1ADORA2AADORA2BADORA1EPHX2
SCHEMBL18266494 0.84 RIPK1 (0.42) RIPK1ADORA2AADORA2BADORA1EPHX2
SCHEMBL18266542 0.84 RIPK1 (0.42) RIPK1ADORA2AADORA2BADORA1ROCK2
SCHEMBL18266524 0.83 RIPK1 (0.41) RIPK1ADORA2AEPHX2PPARG
SCHEMBL2719074 0.82 RIPK1 (0.60) RIPK1

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 19 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
CN-106478497-A Aryl amine derivatives as TTX S blocker 拉夸里亚创药株式会社 2017-03-08 CN disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
CN-103249721-B Arylamine Derivatives as TTX-S Blockers 拉夸里亚创药株式会社 2016-10-12 CN 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 RIPK1 4666/4885ADORA2A 1699/4885ADORA2B 1185/4885

“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.