SCHEMBL14929913

SCHEMBL14929913

CCCN(C(=O)OC(C)(C)C)c1nc(Nc2cccc(C(=O)Nc3ccccc3)c2)c(C(N)=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.47
SIRT2 Q8IXJ6 3/20 0.46
AURKA O14965 5/20 0.41
RPS6KB1 P23443 5/20 0.41
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
CAMK1D Q8IU85 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL14923956 0.93 SYK (0.46) SYKSIRT2AURKARPS6KB1KCNK3
SCHEMBL14929932 0.92 CAMK1D (0.39) SYKAURKAMEN1KMT2ACAMK1D
SCHEMBL14931174 0.84 CAMK1D (0.39) SYKSIRT2AURKAMEN1KMT2A
SCHEMBL14929923 0.75 TP53 (0.40) NPC1ABCB1ABCG2
SCHEMBL14927589 0.74 GRM2 (0.33)
SCHEMBL14909563 0.74 SYK (0.55) SYKSIRT2AURKARPS6KB1MEN1
SCHEMBL14927587 0.69 KEAP1 (0.45)
SCHEMBL14923937 0.68 MAPK1 (0.39) SYKABCB1ABCG2
SCHEMBL14927585 0.67 ATR (0.36) SYK
SCHEMBL14923502 0.67 KEAP1 (0.33)

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 3 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

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 1/4885SIRT2 36/4885AURKA 2975/4885

“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.