SCHEMBL14929932

SCHEMBL14929932

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAMK1D Q8IU85 2/20 0.39
AURKA O14965 2/20 0.39
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
SYK P43405 8/20 0.38
CFTR P13569 2/20 0.38
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AURKB Q96GD4 1/20 0.37
LMNA P02545 1/20 0.36
CDC25B P30305 1/20 0.36

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
SCHEMBL14931174 0.92 CAMK1D (0.39) CAMK1DAURKATSHRRECQLSYK
SCHEMBL14929913 0.92 SYK (0.47) CAMK1DAURKASYKABCB1ABCG2
SCHEMBL14923956 0.84 SYK (0.46) CAMK1DAURKASYKABCB1ABCG2
SCHEMBL14929923 0.78 TP53 (0.40) TSHRABCB1ABCG2LMNACDC25B
SCHEMBL14927589 0.76 GRM2 (0.33)
SCHEMBL14927587 0.73 KEAP1 (0.45)
SCHEMBL14923937 0.71 MAPK1 (0.39) TSHRSYKABCB1ABCG2LMNA
SCHEMBL14927585 0.70 ATR (0.36) TSHRSYKLMNA
SCHEMBL14923502 0.69 KEAP1 (0.33)
SCHEMBL2732374 0.69 SYK (0.49) SYKAURKB

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 CAMK1D 936/4885AURKA 2975/4885TSHR 1886/4885

“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.