SCHEMBL4513655

SCHEMBL4513655

COc1ccc(Cn2c(C)cc(OCc3ccccc3CN3C(=O)c4ccccc4C3=O)c(C)c2=O)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.42
PDE5A O76074 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
CD274 Q9NZQ7 1/20 0.39
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
NR1H3 Q13133 1/20 0.37
PABPC1 P11940 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4511553 0.92 MAPK14 (0.41) MAPK14PDE5ARXFP1CD274KMT2A
SCHEMBL13678626 0.90 MAPK14 (0.40) MAPK14PDE5ACD274KDM4ELMNA
SCHEMBL4511905 0.88 MAPK14 (0.45) MAPK14PDE5ACD274KMT2AKDM4E
SCHEMBL4516348 0.87 CD274 (0.43) RXFP1CD274KMT2AKDM4EUSP2
SCHEMBL4515403 0.84 CD274 (0.42) MAPK14CD274KMT2AKDM4ELMNA
SCHEMBL4498832 0.83 GAA (0.51) MAPK14RXFP1KMT2AKDM4EUSP2
SCHEMBL13678560 0.83 CASP3 (0.44) MAPK14KMT2AKDM4ERECQLPABPC1
SCHEMBL4509384 0.83 ALDH1A1 (0.49) KMT2AKDM4EPOLBTSHRHTT
SCHEMBL13678627 0.82 MAPK14 (0.39) MAPK14PDE5ACD274KDM4ELMNA
SCHEMBL6779236 0.81 CASP3 (0.51) PDE5ARXFP1KMT2AKDM4EUSP2

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
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 117/4885PDE5A 153/4885RXFP1 1336/4885

“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.