SCHEMBL4515403

SCHEMBL4515403

COc1ccc(Cn2c(C)cc(OCc3ccccc3CNC(N)=O)c(C)c2=O)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.42
MAPK14 Q16539 10/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
RCE1 Q9Y256 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 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
SCHEMBL4511523 0.87 MAPK14 (0.42) CD274MAPK14KMT2AMAPT
SCHEMBL4511905 0.87 MAPK14 (0.45) CD274MAPK14ALDH1A1KDM4EHSD17B10
SCHEMBL4513845 0.84 MAPK14 (0.46) MAPK14TP53ALDH1A1KDM4ERCE1
SCHEMBL4513655 0.84 MAPK14 (0.42) CD274MAPK14KDM4EMAPK1LMNA
SCHEMBL13678626 0.81 MAPK14 (0.40) CD274MAPK14ALDH1A1KDM4ELMNA
SCHEMBL4508090 0.81 MAPK14 (0.50) MAPK14POLBKMT2AMAPT
SCHEMBL4565096 0.80 CD274 (0.45) CD274MAPK14TP53ALDH1A1LMNA
SCHEMBL4499822 0.80 MAPK14 (0.48) MAPK14
SCHEMBL4513949 0.79 MAPK14 (0.50) MAPK14POLBKMT2AMAPT
SCHEMBL4520978 0.79 MAPK14 (0.44) MAPK14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 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-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PDXK, UMPS, CDK2 CD274 2673/4885MAPK14 117/4885TP53 1717/4885

“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.