SCHEMBL4513845

SCHEMBL4513845

COc1ccccc1Cn1c(C)cc(OCc2ccccc2CNC(N)=O)c(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.46
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RCE1 Q9Y256 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
CASP3 P42574 1/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL4565096 0.92 CD274 (0.45) MAPK14NPSR1ALDH1A1HPGDGAA
SCHEMBL4504769 0.90 MAPK14 (0.49) MAPK14NPSR1POLBALDH1A1MEN1
SCHEMBL4521648 0.87 MAPK14 (0.43) MAPK14ALDH1A1MEN1KMT2ANPC1
SCHEMBL4511523 0.86 MAPK14 (0.42) MAPK14KMT2AMAPT
SCHEMBL4497719 0.84 MAPK14 (0.57) MAPK14NPSR1ALDH1A1MEN1KMT2A
SCHEMBL4515403 0.84 CD274 (0.42) MAPK14POLBALDH1A1MEN1KMT2A
SCHEMBL4498832 0.81 GAA (0.51) MAPK14MEN1KMT2AGAAKDM4E
SCHEMBL4512169 0.79 MAPK14 (0.52) MAPK14TP53MAPT
SCHEMBL4513949 0.79 MAPK14 (0.50) MAPK14POLBKMT2AMAPT
SCHEMBL4508090 0.79 MAPK14 (0.50) MAPK14POLBKMT2AMAPT

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 MAPK14 117/4885NPSR1 2544/4885POLB 619/4885

“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.