SCHEMBL14923937

SCHEMBL14923937

COC(=O)c1cccc(Nc2nc(N(CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(F)cc2C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
ABCG2 Q9UNQ0 3/20 0.38
ABCB1 P08183 2/20 0.38
PDE5A O76074 1/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CASR P41180 1/20 0.36
BRD4 O60885 1/20 0.35
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
PDGFRB P09619 1/20 0.35
MAPT P10636 6/20 0.35
ROCK1 Q13464 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14929923 0.93 TP53 (0.40) MAPK1TP53LMNATSHRABCG2
SCHEMBL14931174 0.78 CAMK1D (0.39) LMNATSHRABCG2ABCB1EGFR
SCHEMBL14923933 0.77 KHK (0.38) ALDH1A1
SCHEMBL14923956 0.76 SYK (0.46) ABCG2ABCB1SYK
SCHEMBL14910422 0.71 ATR (0.35) MAPTGAA
SCHEMBL14929932 0.71 CAMK1D (0.39) LMNATSHRABCG2ABCB1SYK
SCHEMBL14929913 0.68 SYK (0.47) ABCG2ABCB1SYK
SCHEMBL14927570 0.68 KHK (0.39) KDM4EALDH1A1MAPT
SCHEMBL14923504 0.66 TRPA1 (0.36) TP53LMNATSHRALDH1A1NPSR1
SCHEMBL14909824 0.66 KHK (0.35) ALDH1A1NPSR1

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 MAPK1 334/4885TP53 2380/4885LMNA 3649/4885

“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.