SCHEMBL6356946

SCHEMBL6356946

CCCOc1ncc(I)cc1C(=O)Nc1c(C(N)=O)nn(C2CCN(C(=O)O)CC2)c1CC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.52
CNR2 P34972 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
CCNA2 P20248 2/20 0.30
CDK2 P24941 2/20 0.30
CCNA1 P78396 2/20 0.30
AURKA O14965 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
SCHEMBL2402678 0.93 PDE5A (0.53) PDE5ACNR2
SCHEMBL8509223 0.85 PDE5A (0.50) PDE5AIRAK4
SCHEMBL6777523 0.83 PDE5A (0.58) PDE5ACCNA2CDK2CCNA1AURKA
SCHEMBL12269242 0.78 PDE5A (0.56) PDE5AIRAK4
SCHEMBL14374661 0.76 PDE5A (0.51) PDE5AIRAK4
SCHEMBL6363110 0.76 PDE5A (0.59) PDE5A
SCHEMBL6746112 0.75 PDE5A (0.42) PDE5ACNR2IRAK4
SCHEMBL6356420 0.75 PDE5A (0.38) PDE5AIRAK4
SCHEMBL6629643 0.73 PDE5A (0.49) PDE5A
SCHEMBL2404543 0.72 PDE5A (0.38) PDE5ACNR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143367-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof PFIZER INC 2005-06-30 US disclosed
US-6809200-B2 REACTING 5-ACETYL-N-(3-(AMINOCARBONYL)-5-ETHYL-1-(1-ETHYL-3-AZETIDINYL)-1H-PYRAZOL4 -YL)-2-ETHOXYNICOTINAMIDE, IN PRESENCE OF ALCOHOL OR ALKOXY COMPOUND AND A HYDROXIDE TRAPPING AGENT OR BASE PFIZER INC. 2004-10-26 US disclosed
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed
US-20020038024-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof PFIZER INC. 2002-03-28 US disclosed
EP-1176147-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof Pfizer Limited (GB) 2002-01-30 EP 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-20020038024-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof DPYD, HPRT1, SAMHD1 PDE5A 1809/4885CNR2 3923/4885IRAK4 2161/4885
US-20050143367-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof NOX4, VKORC1, DPYD PDE5A 1588/4885CNR2 4046/4885IRAK4 2336/4885

“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.