SCHEMBL2716982

SCHEMBL2716982

Cc1cc(C(=O)NCc2cnc(OCC(F)(F)F)c(Br)c2)cc(NC(=O)C2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.43
GSK3A P49840 5/20 0.43
SCN9A Q15858 1/20 0.42
JAK1 P23458 2/20 0.37
MAPT P10636 4/20 0.37
P2RX3 P56373 2/20 0.36
P2RX2 Q9UBL9 2/20 0.36
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
ABL1 P00519 2/20 0.34
HTR2A P28223 1/20 0.34
IRAK4 Q9NWZ3 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
SCHEMBL2717438 0.91 GSK3B (0.45) GSK3BGSK3ASCN9AJAK1MAPT
SCHEMBL2715006 0.90 GSK3B (0.44) GSK3BGSK3ASCN9AJAK1MAPT
SCHEMBL2716334 0.90 SCN9A (0.46) GSK3BGSK3ASCN9AJAK1MAPT
SCHEMBL2713863 0.89 SCN9A (0.44) SCN9AP2RX3P2RX2
SCHEMBL2715328 0.87 SCN9A (0.56) GSK3BSCN9AMAPTP2RX3P2RX2
SCHEMBL2715347 0.86 GSK3B (0.60) GSK3BGSK3AMAPT
SCHEMBL2714673 0.85 GSK3B (0.38) GSK3BGSK3AJAK1TSHRKMT2A
SCHEMBL2714896 0.84 GSK3A (0.45) GSK3BGSK3ASCN9AJAK1
SCHEMBL2713520 0.83 SCN9A (0.41) GSK3BGSK3ASCN9AJAK1MAPT
SCHEMBL2716422 0.81 GSK3B (0.47) GSK3BGSK3ASCN9AJAK1TSHR

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.