SCHEMBL2715438

SCHEMBL2715438

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.38
BRAF P15056 4/20 0.37
KDR P35968 4/20 0.37
GSK3B P49841 7/20 0.37
GSK3A P49840 4/20 0.37
ACACB O00763 2/20 0.37
PDE2A O00408 1/20 0.35
GAK O14976 1/20 0.35
ROCK2 O75116 1/20 0.35
CHRNA1 P02708 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNA7 P36544 1/20 0.35
NR2C2 P49116 1/20 0.35
TAB1 Q15750 1/20 0.35
HIPK4 Q8NE63 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
MAPT P10636 2/20 0.35
IDH1 O75874 1/20 0.34
ABL1 P00519 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
SCHEMBL2717415 0.93 GSK3B (0.44) AAK1BRAFKDRGSK3BGSK3A
SCHEMBL2716825 0.90 GSK3B (0.41) AAK1BRAFKDRGSK3BGSK3A
SCHEMBL2717195 0.90 PDE2A (0.36) AAK1BRAFKDRACACBPDE2A
SCHEMBL2713163 0.89 ACACB (0.41) GSK3BACACBMAPTABL1
SCHEMBL2713402 0.86 GSK3B (0.37) AAK1BRAFKDRGSK3BGSK3A
SCHEMBL2718397 0.86 ACACB (0.40) GSK3BGSK3AACACBPDE2ACHRNA7
SCHEMBL2715584 0.85 GSK3B (0.49) GSK3BGSK3AMAPT
SCHEMBL2715542 0.85 GSK3B (0.44) AAK1GSK3BGSK3AACACBPDE2A
SCHEMBL2714887 0.84 IDH1 (0.49) AAK1GSK3BGSK3APDE2AIDH1
SCHEMBL2715512 0.83 GSK3B (0.43) AAK1BRAFKDRGSK3BGSK3A

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 AAK1 2999/4885BRAF 2637/4885KDR 3655/4885

“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.