SCHEMBL2714248

SCHEMBL2714248

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 9/20 0.39
KLKB1 P03952 1/20 0.38
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
JAK1 P23458 2/20 0.35
MALT1 Q9UDY8 1/20 0.35
MAPK1 P28482 1/20 0.35
RPS6KA1 Q15418 1/20 0.35
IDH1 O75874 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
JAK2 O60674 3/20 0.35
CDK9 P50750 1/20 0.35
JAK3 P52333 1/20 0.35
MAP4K1 Q92918 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL2714811 0.90 MAP4K1 (0.39) GSK3BJAK1MAP4K1ABL1
SCHEMBL2716860 0.89 CNR2 (0.35) GSK3AGSK3BJAK1JAK2MAP4K1
SCHEMBL2719013 0.89 MAP4K1 (0.39) GSK3AGSK3BJAK1MAPK1MAP4K1
SCHEMBL2716113 0.88 GSK3B (0.40) GSK3AGSK3BJAK1IDH1MAP4K1
SCHEMBL2716154 0.88 GSK3B (0.47) TYK2KLKB1GSK3AGSK3BIDH1
SCHEMBL2714154 0.87 SCN9A (0.37) TYK2KLKB1MALT1ABL1
SCHEMBL2713815 0.87 TYK2 (0.40) TYK2JAK1MALT1MAPK1RPS6KA1
SCHEMBL2715979 0.85 ACACB (0.41) TYK2IDH1ABL1
SCHEMBL2714791 0.84 GSK3B (0.52) TYK2GSK3AGSK3B
SCHEMBL2717492 0.82 ABL1 (0.39) TYK2JAK1IDH1BRAFKDR

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 TYK2 3270/4885KLKB1 4560/4885GSK3A 3959/4885

“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.