SCHEMBL2716154

SCHEMBL2716154

O=C(NCc1cnc(OCC(F)(F)F)c(Cl)c1)c1ccnc(NC(=O)C2CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.47
GSK3A P49840 6/20 0.47
BRAF P15056 2/20 0.40
KDR P35968 2/20 0.40
IDH1 O75874 5/20 0.39
TYK2 P29597 3/20 0.39
KLKB1 P03952 1/20 0.38
AURKA O14965 2/20 0.37
LCK P06239 1/20 0.37
IGF1R P08069 1/20 0.37
EIF2AK2 P19525 1/20 0.37
SYK P43405 1/20 0.37
BMX P51813 1/20 0.37

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
SCHEMBL2716932 0.90 GSK3B (0.45) GSK3BGSK3ABRAFKDRKLKB1
SCHEMBL2716708 0.90 GSK3B (0.45) GSK3BGSK3AKLKB1AURKALCK
SCHEMBL2716231 0.90 GSK3B (0.45) GSK3BGSK3ABRAFKDRAURKA
SCHEMBL4550351 0.90 GSK3B (0.45) GSK3BGSK3AKLKB1AURKALCK
SCHEMBL2718565 0.89 GSK3B (0.44) GSK3BGSK3AKLKB1AURKALCK
SCHEMBL2715923 0.88 GSK3B (0.44) GSK3BGSK3ABRAFKDRIGF1R
SCHEMBL2714248 0.88 TYK2 (0.39) GSK3BGSK3ABRAFKDRIDH1
SCHEMBL2715029 0.88 GSK3A (0.48) GSK3BGSK3AIDH1KLKB1
SCHEMBL2714886 0.88 GSK3A (0.47) GSK3BGSK3AIDH1KLKB1SYK
SCHEMBL2714587 0.87 GSK3A (0.38) GSK3BGSK3ABRAFKDRIDH1

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 3959/4885BRAF 2637/4885

“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.