SCHEMBL332296

SCHEMBL332296

CCOCCn1nc(C(=O)O)c2nc(N(CC)CC)nc(Nc3ccc(=O)n(C)c3)c21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.45
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32
HTR2C P28335 1/20 0.32
JAK3 P52333 1/20 0.32
BTK Q06187 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
SCHEMBL13756992 0.91 PDE5A (0.40) PDE5AMKNK1MKNK2KCNH2
SCHEMBL12768916 0.80 PDE5A (0.48) PDE5AKCNH2
SCHEMBL10286218 0.80 HTR2C (0.38) PDE5AALDH1A1LMNATSHRTDP1
SCHEMBL331424 0.78 PDE5A (0.57) PDE5AKCNH2ALDH1A1LMNAHTR2C
SCHEMBL331892 0.77 MAPT (0.36) PDE5AMKNK1MKNK2ALDH1A1TSHR
SCHEMBL332006 0.76 PDE5A (0.55) PDE5AKCNH2
SCHEMBL332816 0.76 PDE5A (0.47) PDE5AKCNH2HTR2C
SCHEMBL8245302 0.76 PDE5A (0.43) PDE5AKCNH2
SCHEMBL331500 0.76 PDE5A (0.61) PDE5AKCNH2
SCHEMBL4037986 0.74 PDE5A (0.43) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097621-B2 Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
US-8097621-B2 Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-1689751-B1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LTD (GB) 2010-10-20 EP disclosed
EP-1689751-B1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LTD (GB) 2010-10-20 EP disclosed
US-20090247539-A1 Novel Pharmaceuticals PFIZER INC 2009-10-01 US disclosed
US-20090247539-A1 Novel Pharmaceuticals PFIZER INC 2009-10-01 US disclosed
WO-2005049616-A1 5,7-DIAMINOPYRAZOLO [4,3-d] PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY 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-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 PDE5A 103/4885MKNK1 3525/4885MKNK2 3343/4885

“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.