SCHEMBL14917536

SCHEMBL14917536

Cc1cc(Nc2nc(NCC(CCCCN3C(=O)c4ccccc4C3=O)N(C(=O)O)C(C)(C)C)c(F)cc2C(N)=O)cnc1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.34
MAPK8 P45983 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
DHODH Q02127 1/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC7 Q8WUI4 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
HTT P42858 1/20 0.31
ZAP70 P43403 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
SCHEMBL14908682 0.87 SYK (0.32) SYKMAPK8TLR8TLR7DHODH
SCHEMBL14928494 0.81 SYK (0.38) SYKTLR8TLR7ALDH1A1HPGD
SCHEMBL14931124 0.77 TSHR (0.33) SYKHDAC1HDAC7JAK2JAK1
SCHEMBL14909045 0.76 SYK (0.37) SYKZAP70
SCHEMBL14909048 0.76 SYK (0.37) SYKZAP70
SCHEMBL14909214 0.71 SYK (0.32) SYK
SCHEMBL14908915 0.71 SYK (0.32) SYK
SCHEMBL14928590 0.68 SYK (0.41) SYKZAP70
SCHEMBL14911076 0.68 SYK (0.37) SYKJAK2JAK1ZAP70
SCHEMBL14928586 0.67 SYK (0.38) SYKZAP70

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-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US 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 SYK 1/4885MAPK8 838/4885TLR8 57/4885

“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.