SCHEMBL2715633

SCHEMBL2715633

Cc1cc(CNC(=O)c2ccnc(NC(=O)C(C)C)c2)ccc1OCC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.61
MAPT P10636 9/20 0.61
SCN9A Q15858 1/20 0.51
GSK3A P49840 2/20 0.44
HDAC1 Q13547 2/20 0.41
KDM1A O60341 1/20 0.41
AAK1 Q2M2I8 2/20 0.40
ROS1 P08922 1/20 0.40
ALK Q9UM73 1/20 0.40
KCNB1 Q14721 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2714634 0.90 GSK3B (0.61) GSK3BMAPTSCN9AGSK3AHDAC1
SCHEMBL2717028 0.90 MAPT (0.51) GSK3BMAPTSCN9AROS1ALK
SCHEMBL2716029 0.90 GSK3B (0.48) GSK3BMAPTGSK3AHDAC1KDM1A
SCHEMBL18266560 0.88 MAPT (0.49) GSK3BMAPTSCN9AROS1ALK
SCHEMBL2719098 0.88 SCN9A (0.51) GSK3BMAPTSCN9AKCNB1
SCHEMBL2717299 0.88 GSK3B (0.47) GSK3BMAPTGSK3AHDAC1KDM1A
SCHEMBL2717172 0.88 MAPT (0.61) GSK3BMAPTSCN9AHDAC1AAK1
SCHEMBL18266628 0.87 MAPT (0.50) GSK3BMAPTSCN9AROS1ALK
SCHEMBL2715223 0.86 GSK3B (0.61) GSK3BMAPTSCN9AGSK3AAAK1
SCHEMBL2714286 0.86 GSK3B (0.63) GSK3BMAPTSCN9AGSK3AAAK1

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 4093/4885MAPT 3185/4885SCN9A 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.