SCHEMBL4522650

SCHEMBL4522650

COc1ccc(Cn2c(C)cc(OCc3ccccc3CN)c(C)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.49
PDE1B Q01064 8/20 0.43
PDE1C Q14123 8/20 0.43
PDE1A P54750 7/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
KLK1 P06870 1/20 0.42
KLKB1 P03952 1/20 0.41
P2RX4 Q99571 1/20 0.41
TYMS P04818 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4499526 0.91 MAPK14 (0.48) MAPK14PDE1BPDE1CPDE1AKDM4E
SCHEMBL4506128 0.90 MAPK14 (0.53) MAPK14ALDH1A1
SCHEMBL4511812 0.90 MAPK14 (0.62) MAPK14
SCHEMBL4497552 0.88 MAPK14 (0.46) MAPK14PDE1BPDE1CPDE1AKDM4E
SCHEMBL13678579 0.88 MAPK14 (0.46) MAPK14
SCHEMBL13678624 0.88 MAPK14 (0.48) MAPK14MAPT
SCHEMBL4522569 0.88 MAPK14 (0.52) MAPK14KDM4E
SCHEMBL13678629 0.87 MAPK14 (0.47) MAPK14
SCHEMBL4497719 0.86 MAPK14 (0.57) MAPK14KDM4EALDH1A1
SCHEMBL4512896 0.85 MAPK14 (0.52) MAPK14PDE1BPDE1CPDE1AKDM4E

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 6 patents. 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
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
EP-1987022-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES Pfizer Products Inc. (US) 2008-11-05 EP disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 WO 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 117/4885PDE1B 474/4885PDE1C 629/4885

“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.