SCHEMBL4040839

SCHEMBL4040839

CCOCCn1nc(C)c2nc(Cl)nc(Nc3ccc(OC)nc3)c21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.45
KCNH2 Q12809 1/20 0.42
PIK3CA P42336 4/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CG P48736 3/20 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
SCHEMBL4038917 0.83 PDE5A (0.47) PDE5AKCNH2
SCHEMBL4037986 0.80 PDE5A (0.43) PDE5AKCNH2
SCHEMBL12768898 0.80 PDE5A (0.59) PDE5AKCNH2
SCHEMBL4042932 0.77 PDE5A (0.68) PDE5AKCNH2
SCHEMBL4040493 0.76 PDE5A (0.53) PDE5AKCNH2
SCHEMBL5249593 0.75 PDE5A (0.49) PDE5AKCNH2
SCHEMBL8262538 0.74 PDE5A (0.49) PDE5AKCNH2
SCHEMBL4040944 0.73 PDE5A (0.50) PDE5AKCNH2
SCHEMBL4476229 0.71 PDE5A (0.61) PDE5AKCNH2
SCHEMBL8261148 0.70 PDE5A (0.70) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 EP disclosed
EP-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 EP disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 US disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 US disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 US disclosed
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 US disclosed
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 US disclosed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 US disclosed
WO-2004096810-A1 5,7-DIAMINOPYRAZOLO`4,3-D!PYRIMIDINES USEFUL IN THE TREATMENT OF HYPERTENSION PFIZER LIMITED (GB) 2004-11-11 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 (2 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-20050043325-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 PDE5A 103/4885KCNH2 2253/4885PIK3CA 573/4885
US-20070270412-A1 NOVEL PHARMACEUTICALS ABCB11, PCSK9, SLC10A1 PDE5A 103/4885KCNH2 2253/4885PIK3CA 573/4885

“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.