SCHEMBL8295685

SCHEMBL8295685

CCOCCn1nc(C(=O)NCCNC(=O)OC(C)(C)C)c2nc(Cl)nc(NC3CCCC3)c21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.38
EPHX1 P07099 1/20 0.37
ADORA3 P0DMS8 3/20 0.34
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
KCNH2 Q12809 2/20 0.33
GPR142 Q7Z601 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL4705717 0.89 PDE5A (0.40) PDE5AADORA3KCNH2GPR142ADORA2A
SCHEMBL14290023 0.85 PDE5A (0.45) PDE5AADORA3KCNH2ADORA2AADORA1
SCHEMBL4701768 0.82 ADORA3 (0.39) PDE5AADORA3KCNH2ADORA2AADORA1
SCHEMBL332232 0.81 ADORA3 (0.38) PDE5AADORA3KCNH2ADORA2AADORA1
SCHEMBL5484690 0.78 PDE5A (0.38) PDE5AADORA3KCNH2ADORA2AADORA1
SCHEMBL4701231 0.78 PDE5A (0.41) PDE5AADORA3KCNH2GPR142ADORA2A
SCHEMBL4705086 0.77 PDE5A (0.48) PDE5AADORA3KCNH2GPR142
SCHEMBL4705183 0.76 PDE5A (0.41) PDE5AADORA3KCNH2ADORA2A
SCHEMBL8294730 0.76 PDE5A (0.45) PDE5AADORA3KCNH2ADORA2AADORA1
SCHEMBL2843575 0.73 EPHX1 (0.57) EPHX1STK17BSTK17A

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 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 724/4885EPHX1 787/4885ADORA3 2841/4885

“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.