SCHEMBL14923528

SCHEMBL14923528

CC(C)(C)OC(=O)NC[C@@H](CCC(F)(F)F)Nc1nc(Cl)c(C#N)cc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
SYK P43405 2/20 0.36
TRPA1 O75762 1/20 0.36
AAK1 Q2M2I8 7/20 0.35
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
KHK P50053 1/20 0.33
NSD2 O96028 1/20 0.33
CACNA1H O95180 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32
SERPINE1 P05121 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL14931122 0.92 BRD4 (0.45) BRD4SYKTRPA1AAK1JAK3
SCHEMBL14923519 0.90 BRD4 (0.41) BRD4SYKTRPA1AAK1JAK3
SCHEMBL10251020 0.90 SYK (0.39) BRD4SYKTRPA1AAK1JAK3
SCHEMBL14923607 0.88 AAK1 (0.44) BRD4SYKTRPA1AAK1JAK3
SCHEMBL14923599 0.88 AAK1 (0.44) BRD4SYKTRPA1AAK1JAK3
SCHEMBL3356984 0.88 AAK1 (0.44) BRD4SYKTRPA1AAK1JAK3
SCHEMBL14923673 0.85 TRPA1 (0.41) SYKTRPA1AAK1KHKNSD2
SCHEMBL14923522 0.85 CTSS (0.38) BRD4SYKTRPA1AAK1JAK3
SCHEMBL14931109 0.85 SYK (0.44) BRD4SYKNSD2CTSSCTSK
SCHEMBL14909011 0.85 TRPA1 (0.40) SYKTRPA1AAK1KHKNSD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK BRD4 52/4885SYK 1/4885TRPA1 1310/4885

“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.