SCHEMBL2720100

SCHEMBL2720100

COc1cc(C(C)NC(=O)c2cc(C)nc(NC(=O)C3CC3)c2)cnc1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.44
GSK3A P49840 5/20 0.44
SCN9A Q15858 1/20 0.41
P2RX3 P56373 6/20 0.38
P2RX2 Q9UBL9 6/20 0.38
MAPT P10636 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
ABL1 P00519 4/20 0.36
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL2715964 0.92 GSK3A (0.43) GSK3BGSK3ASCN9AP2RX3P2RX2
SCHEMBL2713562 0.91 SCN9A (0.44) GSK3BGSK3ASCN9AP2RX3P2RX2
SCHEMBL2715232 0.90 SCN9A (0.41) GSK3BSCN9AP2RX3P2RX2MAPT
SCHEMBL2715394 0.90 SCN9A (0.42) GSK3BSCN9AP2RX3P2RX2MAPT
SCHEMBL2717603 0.89 SCN9A (0.50) GSK3BGSK3ASCN9AP2RX3P2RX2
SCHEMBL2713770 0.89 SCN9A (0.51) GSK3BSCN9AP2RX3P2RX2MAPT
SCHEMBL2716602 0.88 GSK3B (0.59) GSK3BGSK3AMAPT
SCHEMBL2713616 0.86 GSK3A (0.38) GSK3BGSK3ABRAFKDR
SCHEMBL2717949 0.84 GSK3A (0.43) GSK3BGSK3ASCN9AP2RX3P2RX2
SCHEMBL2716431 0.83 SCN9A (0.41) GSK3BSCN9AP2RX3P2RX2MAPT

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 13 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
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 GSK3B 4093/4885GSK3A 3959/4885SCN9A 31/4885

“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.