SCHEMBL4701485

SCHEMBL4701485

CCOCCn1nc(C=O)c2nc(Cl)nc(Nc3ccncn3)c21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.46
KCNH2 Q12809 4/20 0.45
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 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
SCHEMBL4467481 0.87 PDE5A (0.53) PDE5AKCNH2
SCHEMBL27642470 0.87 PDE5A (0.47) PDE5AKCNH2CCNA2CDK2CCNA1
SCHEMBL331638 0.86 PDE5A (0.43) PDE5AKCNH2CCNA2CDK2CCNA1
SCHEMBL4043003 0.86 PDE5A (0.53) PDE5AKCNH2
SCHEMBL331743 0.85 PDE5A (0.46) PDE5AKCNH2CCNA2CDK2CCNA1
SCHEMBL4046514 0.85 PDE5A (0.52) PDE5AKCNH2
SCHEMBL331334 0.85 PDE5A (0.44) PDE5AKCNH2
SCHEMBL331573 0.85 PDE5A (0.52) PDE5AKCNH2
SCHEMBL4461881 0.84 PDE5A (0.51) PDE5AKCNH2
SCHEMBL4043804 0.84 PDE5A (0.51) PDE5AKCNH2

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
EP-1689752-B1 PYRAZOLOPYRIMIDINES PFIZER LTD (GB) 2008-02-27 EP disclosed
EP-1689752-B1 PYRAZOLOPYRIMIDINES PFIZER LTD (GB) 2008-02-27 EP disclosed
US-20070105877-A1 Pyrazolopyrimidines PFIZER INC 2007-05-10 US disclosed
US-20070105877-A1 Pyrazolopyrimidines PFIZER INC 2007-05-10 US disclosed
US-20070105877-A1 Pyrazolopyrimidines PFIZER INC 2007-05-10 US disclosed
WO-2005049617-A1 PYRAZOLOPYRIMIDINES PFIZER LIMITED (GB) 2005-06-02 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-20070105877-A1 Pyrazolopyrimidines DPYD, CYP2D6, TPMT PDE5A 724/4885KCNH2 201/4885CCNA2 312/4885

“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.