SCHEMBL4499561

SCHEMBL4499561

COc1ccccc1Cn1c(C)cc(OCc2ccccc2CN2C(=O)c3ccccc3C2=O)c(I)c1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
MAPK14 Q16539 3/20 0.43
MAOB P27338 4/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRNP P04156 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
CD74 P04233 1/20 0.39
MIF P14174 1/20 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
SCHEMBL4498832 0.90 GAA (0.51) GAAKDM4ERECQLMEN1KMT2A
SCHEMBL4513443 0.88 GAA (0.49) GAAKDM4ERECQLMEN1KMT2A
SCHEMBL13678558 0.88 MAPK14 (0.41) KDM4ERECQLKMT2ARXFP1MAPK14
SCHEMBL4506364 0.86 MAPK14 (0.40) GAAKDM4ERECQLMEN1KMT2A
SCHEMBL4510559 0.86 PDE1A (0.41) GAAKDM4ERECQLMEN1KMT2A
SCHEMBL4520277 0.86 ALDH1A1 (0.45) GAAKDM4EMEN1KMT2ACYP1A2
SCHEMBL4511553 0.84 MAPK14 (0.41) GAAKDM4ERECQLMEN1KMT2A
SCHEMBL13678560 0.77 CASP3 (0.44) KDM4ERECQLMEN1KMT2AMAPK14
SCHEMBL4522993 0.77 CASP3 (0.49) GAAKDM4EMEN1KMT2AMAPK14
SCHEMBL13678554 0.76 MAPK14 (0.46) KDM4ERECQLKMT2ARXFP1MAPK14

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 GAA 2979/4885KDM4E 1348/4885RECQL 1693/4885

“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.