SCHEMBL4040756

SCHEMBL4040756

COCCn1nc(C(C)C)c2nc(Cl)nc(Nc3ccc(C)cn3)c21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.44
BTK Q06187 3/20 0.35
SRC P12931 2/20 0.35
LYN P07948 1/20 0.35
CASR P41180 8/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL4038340 0.86 PDE5A (0.47) PDE5A
SCHEMBL4044995 0.82 PDE5A (0.67) PDE5A
SCHEMBL12768613 0.79 PDE5A (0.54) PDE5A
SCHEMBL4040944 0.78 PDE5A (0.50) PDE5A
SCHEMBL4476229 0.77 PDE5A (0.61) PDE5A
SCHEMBL8261148 0.77 PDE5A (0.70) PDE5A
SCHEMBL4471824 0.75 PDE5A (0.52) PDE5A
SCHEMBL8262012 0.75 PDE5A (0.53) PDE5A
SCHEMBL5246191 0.74 PDE5A (0.79) PDE5A
SCHEMBL4035632 0.73 CCNA2 (0.40) PDE5ABTKSYK

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 10 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
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-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 US disclosed
CN-1780841-A 5,7-diaminopyrazolo[4,3-d]pyrimidines useful in the traetment of hypertension PFIZER LTD (GB) 2006-05-31 CN 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 103/4885BTK 1206/4885SRC 3128/4885
US-20070270412-A1 NOVEL PHARMACEUTICALS ABCB11, PCSK9, SLC10A1 PDE5A 103/4885BTK 1206/4885SRC 3128/4885

“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.