SCHEMBL4512169

SCHEMBL4512169

COc1ccc(Cn2c(C)cc(OCc3ccccc3CNC(N)=O)c(Cl)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.52
KLKB1 P03952 3/20 0.43
KLK1 P06870 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL4515517 0.92 MAPK14 (0.48) MAPK14MAPT
SCHEMBL4508090 0.90 MAPK14 (0.50) MAPK14KLK1PDE1APDE1BPDE1C
SCHEMBL4513949 0.90 MAPK14 (0.50) MAPK14KLK1MAPT
SCHEMBL4503244 0.90 MAPK14 (0.64) MAPK14
SCHEMBL4504769 0.89 MAPK14 (0.49) MAPK14MAPTTP53
SCHEMBL4499526 0.86 MAPK14 (0.48) MAPK14KLKB1KLK1PDE1APDE1B
SCHEMBL4507481 0.84 MAPK14 (0.46) MAPK14MAPT
SCHEMBL4511523 0.83 MAPK14 (0.42) MAPK14KLK1PDE1APDE1BPDE1C
SCHEMBL4522993 0.82 CASP3 (0.49) MAPK14
SCHEMBL4565096 0.81 CD274 (0.45) MAPK14MAPTTP53

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 117/4885KLKB1 2485/4885KLK1 3252/4885

“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.