SCHEMBL4705086

SCHEMBL4705086

CCOCCn1nc(C(=O)NCCNC)c2nc(N(C)CC)nc(NC3CCCC3)c21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.48
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
GPR142 Q7Z601 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 2/20 0.32
SLC29A1 Q99808 1/20 0.31
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL4701231 0.94 PDE5A (0.41) PDE5AEHMT2GPR142ALDH1A1LMNA
SCHEMBL5484690 0.85 PDE5A (0.38) PDE5AKCNH2ADORA3
SCHEMBL4705183 0.85 PDE5A (0.41) PDE5AEHMT2EHMT1KCNH2SLC29A1
SCHEMBL4705717 0.80 PDE5A (0.40) PDE5AGPR142HPGDKCNH2ADORA3
SCHEMBL4703066 0.80 PDE5A (0.41) PDE5AALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL8295690 0.77 PDE5A (0.45) PDE5AEHMT2EHMT1KCNH2
SCHEMBL4705161 0.77 PDE5A (0.45) PDE5AEHMT2EHMT1KCNH2
SCHEMBL8295685 0.77 PDE5A (0.38) PDE5AGPR142KCNH2ADORA3
SCHEMBL14290023 0.77 PDE5A (0.45) PDE5ASMN1; SMN2KCNH2ADORA3
SCHEMBL8294730 0.77 PDE5A (0.45) PDE5AKCNH2ADORA3

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 724/4885EHMT2 3688/4885EHMT1 3930/4885

“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.