SCHEMBL4513533

SCHEMBL4513533

COc1ccc(Cn2c(C)cc(OCc3ccccc3CN3C(=O)c4ccccc4C3=O)c(Cl)c2=O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.43
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
CD274 Q9NZQ7 5/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 2/20 0.38
CASP3 P42574 1/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4505724 0.93 MAPK14 (0.43) MAPK14RXFP1S1PR1S1PR5GAA
SCHEMBL4516348 0.93 CD274 (0.43) PDE1APDE1BPDE1CRXFP1CD274
SCHEMBL4510559 0.91 PDE1A (0.41) MAPK14PDE1APDE1BPDE1CRXFP1
SCHEMBL4522993 0.90 CASP3 (0.49) MAPK14GAAKDM4EKMT2ACASP3
SCHEMBL13678554 0.89 MAPK14 (0.46) MAPK14RXFP1KDM4ERECQLKMT2A
SCHEMBL4513443 0.88 GAA (0.49) MAPK14RXFP1GAAKDM4ERECQL
SCHEMBL4501869 0.87 ALDH1A1 (0.45) MAPK14PDE1APDE1BPDE1CGAA
SCHEMBL4503414 0.87 MAPK14 (0.46) MAPK14PDE1APDE1BPDE1CCD274
SCHEMBL4519474 0.84 MAPK14 (0.51) MAPK14GAAKDM4ERECQL
SCHEMBL13678578 0.84 MAPK14 (0.43) MAPK14PDE1APDE1BPDE1CCD274

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 4 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
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 117/4885PDE1A 555/4885PDE1B 474/4885

“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.