SCHEMBL4512677

SCHEMBL4512677

COc1ccc(Cn2c(C)cc(OCc3ccccc3CN3C(=O)c4ccccc4C3=O)cc2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.52
GRM5 P41594 2/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.43
APAF1 O14727 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL13678550 0.92 GRM5 (0.45) CASP3GRM5KDM4EMEN1KMT2A
SCHEMBL4510917 0.90 ALDH1A1 (0.48) CASP3GRM5KDM4EMEN1GAA
SCHEMBL4512362 0.85 KDM4E (0.44) GRM5KDM4EMEN1GAAKMT2A
SCHEMBL4522993 0.83 CASP3 (0.49) CASP3GRM5KDM4EMEN1APAF1
SCHEMBL4507813 0.82 GRM5 (0.35) CASP3GRM5KDM4EMEN1GAA
SCHEMBL4506945 0.80 MAOB (0.47) GRM5KDM4EMEN1KMT2ARAB9A
SCHEMBL24644861 0.78 MAPT (0.48) GRM5KDM4E
SCHEMBL13678551 0.76 SMN1; SMN2 (0.44) KDM4EMEN1KMT2A
SCHEMBL4378569 0.76 MAPK14 (0.53) KDM4E
SCHEMBL4501869 0.75 ALDH1A1 (0.45) CASP3GRM5KDM4EMEN1GAA

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 CASP3 1096/4885GRM5 1504/4885KDM4E 1348/4885

“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.