SCHEMBL2713402

SCHEMBL2713402

Cc1cc(CNC(=O)c2ccnc(NC(=O)C3CC3)n2)cnc1OCC(F)(F)C(F)F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.37
GSK3A P49840 4/20 0.37
AAK1 Q2M2I8 2/20 0.36
BRAF P15056 4/20 0.36
KDR P35968 4/20 0.36
MAP4K1 Q92918 1/20 0.35
SYK P43405 1/20 0.35
ABL1 P00519 2/20 0.35
MAPT P10636 1/20 0.35
MMP13 P45452 1/20 0.34
JAK1 P23458 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
SCHEMBL2716231 0.92 GSK3B (0.45) GSK3BGSK3AAAK1BRAFKDR
SCHEMBL2713467 0.89 MMP13 (0.33) GSK3BGSK3ABRAFKDRABL1
SCHEMBL2714811 0.88 MAP4K1 (0.39) GSK3BMAP4K1ABL1MAPTJAK1
SCHEMBL2715438 0.86 AAK1 (0.38) GSK3BGSK3AAAK1BRAFKDR
SCHEMBL2715353 0.85 GSK3B (0.50) GSK3BGSK3AMAPT
SCHEMBL2715122 0.85 SYK (0.41) GSK3BGSK3ASYKMAPTJAK1
SCHEMBL2718565 0.83 GSK3B (0.44) GSK3BGSK3AMAP4K1SYKMAPT
SCHEMBL2716932 0.82 GSK3B (0.45) GSK3BGSK3AAAK1BRAFKDR
SCHEMBL2715923 0.82 GSK3B (0.44) GSK3BGSK3ABRAFKDRSYK
SCHEMBL2713520 0.82 SCN9A (0.41) GSK3BGSK3ABRAFKDRABL1

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 3959/4885AAK1 2999/4885

“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.