SCHEMBL4512362

SCHEMBL4512362

COc1ccc(Cn2c(C)cc(OCc3ccccc3CN)cc2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
KLK1 P06870 2/20 0.43
KLKB1 P03952 2/20 0.43
P2RX4 Q99571 1/20 0.43
TYMS P04818 1/20 0.42
GRM5 P41594 1/20 0.42
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE1A P54750 4/20 0.40
PDE1B Q01064 4/20 0.40
PDE1C Q14123 4/20 0.40
MAPK14 Q16539 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 2/20 0.39

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
SCHEMBL13678551 0.91 SMN1; SMN2 (0.44) KDM4EALDH1A1MAPTKLK1KLKB1
SCHEMBL4512677 0.85 CASP3 (0.52) KDM4EGRM5GAAMEN1KMT2A
SCHEMBL4506945 0.84 MAOB (0.47) KDM4EALDH1A1MAPTALOX15P2RX4
SCHEMBL4522650 0.83 MAPK14 (0.49) KDM4EALDH1A1MAPTALOX15KLK1
SCHEMBL4499526 0.82 MAPK14 (0.48) KDM4EALDH1A1MAPTALOX15KLK1
SCHEMBL24644861 0.81 MAPT (0.48) KDM4EALDH1A1MAPTALOX15P2RX4
SCHEMBL4511812 0.81 MAPK14 (0.62) MAPK14
SCHEMBL4510666 0.81 MAPK14 (0.42) KDM4EALDH1A1MAPTKLKB1SMN1; SMN2
SCHEMBL4378569 0.79 MAPK14 (0.53) KDM4EALDH1A1MAPTALOX15MAPK14
SCHEMBL4376107 0.77 MAPK14 (0.57) ALDH1A1MAPTKLK1KLKB1GRM5

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 KDM4E 1348/4885ALDH1A1 1197/4885MAPT 2264/4885

“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.