SCHEMBL2713643

SCHEMBL2713643

Cc1cc(C(=O)NCc2cnc(OCC(F)(F)F)cc2C)nc(NC(=O)C2CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.37
GSK3B P49841 2/20 0.37
GSK3A P49840 1/20 0.37
CNR2 P34972 3/20 0.36
ABL1 P00519 3/20 0.35
KDR P35968 3/20 0.34
JAK1 P23458 1/20 0.34
BRAF P15056 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL2714247 0.89 GSK3B (0.42) EPHX2GSK3BGSK3ACNR2ABL1
SCHEMBL2714606 0.88 EPHX2 (0.39) EPHX2CNR2ALDH1A1TSHR
SCHEMBL2717986 0.88 EPHX2 (0.40) EPHX2CNR2ALDH1A1TSHR
SCHEMBL2718610 0.86 PTGES (0.41) EPHX2GSK3BCNR2ALDH1A1TSHR
SCHEMBL2714351 0.86 EPHX2 (0.39) EPHX2GSK3BGSK3ACNR2ALDH1A1
SCHEMBL2716755 0.86 SYK (0.44) EPHX2GSK3BGSK3AALDH1A1TSHR
SCHEMBL2714018 0.84 ALDH1A1 (0.38) EPHX2GSK3BGSK3AALDH1A1TSHR
SCHEMBL2713661 0.83 EPHX2 (0.37) EPHX2GSK3BGSK3AABL1JAK1
SCHEMBL2716005 0.82 GSK3B (0.39) EPHX2GSK3BGSK3ACNR2ABL1
SCHEMBL2717488 0.82 SCN5A (0.38) EPHX2GSK3BGSK3ACNR2KDR

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 12 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

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 EPHX2 2460/4885GSK3B 4093/4885GSK3A 3959/4885

“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.