SCHEMBL4501869

SCHEMBL4501869

COc1cccc(Cn2c(C)cc(OCc3ccccc3CN3C(=O)c4ccccc4C3=O)c(Cl)c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM5 P41594 2/20 0.42
MAPK14 Q16539 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
CMA1 P23946 1/20 0.41

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
SCHEMBL4522993 0.92 CASP3 (0.49) KMT2AKDM4EMEN1GRM5MAPK14
SCHEMBL4509384 0.91 ALDH1A1 (0.49) ALDH1A1KMT2AL3MBTL1KDM4EMEN1
SCHEMBL13678554 0.91 MAPK14 (0.46) ALDH1A1KMT2AKDM4EHPGDMAPK14
SCHEMBL4520277 0.89 ALDH1A1 (0.45) ALDH1A1KMT2AL3MBTL1KDM4EMEN1
SCHEMBL4519474 0.88 MAPK14 (0.51) KDM4EMAPK14GAA
SCHEMBL4505724 0.87 MAPK14 (0.43) KMT2AKDM4EMEN1MAPK14CYP1A2
SCHEMBL4513533 0.87 MAPK14 (0.43) KMT2AKDM4EMEN1POLBMAPK14
SCHEMBL4513443 0.86 GAA (0.49) KMT2AKDM4EMEN1MAPK14CYP1A2
SCHEMBL4515517 0.83 MAPK14 (0.48) ALDH1A1POLBMAPTSMN1; SMN2MAPK14
SCHEMBL4510917 0.83 ALDH1A1 (0.48) ALDH1A1KMT2AL3MBTL1KDM4EMEN1

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 5 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

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 ALDH1A1 1197/4885KMT2A 2604/4885L3MBTL1 4174/4885

“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.