SCHEMBL4565096

SCHEMBL4565096

COc1ccc(Cn2c(C)cc(OCc3ccccc3CNC(N)=O)c(C)c2=O)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.45
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
MAPK14 Q16539 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 2/20 0.41
PDCD1 Q15116 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PLA2G2A P14555 1/20 0.40

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
SCHEMBL4513845 0.92 MAPK14 (0.46) ALDH1A1GAAHPGDMAPK14MAPT
SCHEMBL4522569 0.86 MAPK14 (0.52) CD274MAPK14PLA2G2A
SCHEMBL4504769 0.83 MAPK14 (0.49) ALDH1A1HPGDMAPK14MAPTTSHR
SCHEMBL4521648 0.83 MAPK14 (0.43) CD274ALDH1A1MAPK14MAPTLMNA
SCHEMBL4511523 0.82 MAPK14 (0.42) CD274MAPK14MAPT
SCHEMBL4512169 0.81 MAPK14 (0.52) MAPK14MAPTTP53
SCHEMBL4515403 0.80 CD274 (0.42) CD274ALDH1A1HTTMAPK14MAPT
SCHEMBL4512116 0.80 MAPK14 (0.54) ALDH1A1MAPK14LMNATP53RXFP1
SCHEMBL4515517 0.79 MAPK14 (0.48) ALDH1A1MAPK14MAPTTSHRPLA2G2A
SCHEMBL4513966 0.79 MAPK14 (0.49) 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 2673/4885ALDH1A1 1197/4885GAA 2979/4885

“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.