SCHEMBL331424

SCHEMBL331424

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.57
HTR2C P28335 2/20 0.37
KCNH2 Q12809 1/20 0.37
HTR2A P28223 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL332006 0.93 PDE5A (0.55) PDE5AKCNH2
SCHEMBL331500 0.89 PDE5A (0.61) PDE5AKCNH2MAPT
SCHEMBL2873337 0.89 PDE5A (0.51) PDE5AHTR2CKCNH2HTR2ADHODH
SCHEMBL330525 0.85 PDE5A (0.55) PDE5AKCNH2
SCHEMBL2878701 0.83 PDE5A (0.80) PDE5AKCNH2
SCHEMBL332705 0.83 PDE5A (0.47) PDE5AKCNH2
SCHEMBL2877215 0.82 PDE5A (0.49) PDE5AKCNH2
SCHEMBL13756983 0.81 PDE5A (0.52) PDE5AKCNH2MAPT
SCHEMBL3393042 0.81 PDE5A (0.57) PDE5AKCNH2
SCHEMBL332086 0.79 PDE5A (0.61) 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
US-8097621-B2 Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors PFIZER INC. (US) 2012-01-17 US claimed
EP-1689751-B1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LTD (GB) 2010-10-20 EP claimed
US-20090247539-A1 Novel Pharmaceuticals PFIZER INC 2009-10-01 US claimed
US-20050245544-A1 Novel pharmaceuticals AMPLIFIED PROTEOMICS INC. 2005-11-03 US claimed
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
US-20090247539-A1 Novel Pharmaceuticals PFIZER INC 2009-10-01 US disclosed
US-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 US disclosed
US-20050245544-A1 Novel pharmaceuticals AMPLIFIED PROTEOMICS INC. 2005-11-03 US 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-20050245544-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 PDE5A 103/4885HTR2C 662/4885KCNH2 2253/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 PDE5A 103/4885HTR2C 662/4885KCNH2 2253/4885

“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.