SCHEMBL14923522

SCHEMBL14923522

CC(C)(C)OC(=O)NC[C@@H](CC1CC1)Nc1nc(Cl)c(C#N)cc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
JAK3 P52333 2/20 0.36
BTK Q06187 1/20 0.36
SYK P43405 1/20 0.35
TRPA1 O75762 1/20 0.35
AAK1 Q2M2I8 5/20 0.34
JAK1 P23458 3/20 0.34
JAK2 O60674 2/20 0.34
TYK2 P29597 1/20 0.34
BRD4 O60885 1/20 0.33
KHK P50053 1/20 0.32
NSD2 O96028 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL10251020 0.88 SYK (0.39) CTSSCTSKJAK3BTKSYK
SCHEMBL3356984 0.86 AAK1 (0.44) CTSSCTSKJAK3BTKSYK
SCHEMBL14931122 0.86 BRD4 (0.45) CTSSCTSKJAK3BTKSYK
SCHEMBL14923599 0.86 AAK1 (0.44) CTSSCTSKJAK3BTKSYK
SCHEMBL14923607 0.86 AAK1 (0.44) CTSSCTSKJAK3BTKSYK
SCHEMBL14911713 0.85 TRPA1 (0.36) CTSSCTSKACACBACACAJAK3
SCHEMBL14931150 0.85 TRPA1 (0.36) CTSSCTSKACACBACACAJAK3
SCHEMBL14923528 0.85 BRD4 (0.38) CTSSCTSKJAK3BTKSYK
SCHEMBL14923519 0.85 BRD4 (0.41) CTSSCTSKJAK3BTKSYK
SCHEMBL14923673 0.84 TRPA1 (0.41) CTSSCTSKSYKTRPA1AAK1

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 CTSS 3435/4885CTSK 3872/4885ACACB 1440/4885

“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.