SCHEMBL2714948

SCHEMBL2714948

CC(NC(=O)c1ccnc(N)c1)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.46
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2J2 P51589 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ROCK2 O75116 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
ROCK1 Q13464 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.41
GSK3B P49841 1/20 0.41
NR1I2 O75469 1/20 0.39
KDM4E B2RXH2 1/20 0.39
IDH1 O75874 1/20 0.38
ACACB O00763 1/20 0.38

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
SCHEMBL4550473 0.92 ROCK2 (0.41) EPHX2CYP2C9CYP2C19CYP2J2ROCK2
SCHEMBL4550761 0.90 EPHX2 (0.43) EPHX2ROCK2MAPK1LMNAROCK1
SCHEMBL27931836 0.89 EPHX2 (0.46) EPHX2CYP2C9CYP2C19CYP2J2L3MBTL1
Tert-Butylamine SCHEMBL27931922 0.87 EPHX2 (0.46) EPHX2CYP2C9CYP2C19CYP2J2L3MBTL1
SCHEMBL27931799 0.86 L3MBTL1 (0.48) EPHX2CYP2C9CYP2C19CYP2J2L3MBTL1
SCHEMBL2718381 0.86 EPHX2 (0.43) EPHX2CYP2C9CYP2C19CYP2J2L3MBTL1
SCHEMBL2713575 0.85 ACACB (0.50) EPHX2CYP2C9CYP2C19CYP2J2L3MBTL1
SCHEMBL2715792 0.85 EPHX2 (0.42) EPHX2CYP2C9CYP2C19CYP2J2L3MBTL1
Tert-Butylamine SCHEMBL27913627 0.84 EPHX2 (0.47) EPHX2CYP2C9CYP2C19CYP2J2L3MBTL1
SCHEMBL2716090 0.84 GSK3B (0.60) EPHX2CYP2C9CYP2C19CYP2J2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 2460/4885CYP2C9 2477/4885CYP2C19 3733/4885

“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.