SCHEMBL4701043

SCHEMBL4701043

CCOCCn1nc(C(=O)N[C@H](C)C(=O)O)c2nc(N(C)C)nc(Nc3cc(C)ccn3)c21

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.68
KCNH2 Q12809 2/20 0.51

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
SCHEMBL4702850 0.89 PDE5A (0.73) PDE5AKCNH2
SCHEMBL2870991 0.89 PDE5A (0.70) PDE5AKCNH2
SCHEMBL4702863 0.87 PDE5A (0.68) PDE5AKCNH2
SCHEMBL332278 0.86 PDE5A (0.89) PDE5AKCNH2
SCHEMBL4699861 0.86 PDE5A (0.69) PDE5AKCNH2
SCHEMBL4703850 0.86 PDE5A (0.69) PDE5AKCNH2
SCHEMBL4700481 0.86 PDE5A (0.68) PDE5AKCNH2
SCHEMBL4702391 0.86 PDE5A (0.68) PDE5AKCNH2
SCHEMBL331742 0.85 PDE5A (0.69) PDE5AKCNH2
SCHEMBL331999 0.83 PDE5A (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689752-B1 PYRAZOLOPYRIMIDINES PFIZER LTD (GB) 2008-02-27 EP claimed
US-20070105877-A1 Pyrazolopyrimidines PFIZER INC 2007-05-10 US claimed
EP-1689752-B1 PYRAZOLOPYRIMIDINES PFIZER LTD (GB) 2008-02-27 EP disclosed
US-20070105877-A1 Pyrazolopyrimidines PFIZER INC 2007-05-10 US 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 201/4885

“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.