SCHEMBL332704

SCHEMBL332704

COC(=O)c1nn(CC2CCCCO2)c2c(=O)[nH]c(=O)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 6/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPK1 P28482 2/20 0.39
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ROCK1 Q13464 1/20 0.35
GAA P10253 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 2/20 0.35
MAPT P10636 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
LMNA P02545 2/20 0.34
RCE1 Q9Y256 1/20 0.34
MPO P05164 1/20 0.34
TPO P07202 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
SCHEMBL8296011 0.87 PDE8B (0.38) PDE8BALDH1A1GRIN1GRIN2BROCK1
SCHEMBL331499 0.82 EED (0.37) ROCK1
SCHEMBL331823 0.75
SCHEMBL13008112 0.74 DHODH (0.34) ALDH1A1KDM4ECYP1A2
SCHEMBL331703 0.70 ALDH1A1 (0.34) ALDH1A1MAPK1GAAHPGDCASP1
SCHEMBL331639 0.69
SCHEMBL332338 0.69 PDE8B (0.41) PDE8BALDH1A1MAPK1GAAKDM4E
SCHEMBL31429303 0.68 ROCK1 (0.51) ALDH1A1MAPK1ROCK1GAAKDM4E
SCHEMBL29805430 0.68 ROCK1 (0.51) ALDH1A1MAPK1ROCK1GAAKDM4E
SCHEMBL31429157 0.68 ROCK1 (0.51) ALDH1A1MAPK1ROCK1GAAKDM4E

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 12 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
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
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-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 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 PDE8B 613/4885ALDH1A1 851/4885MAPK1 3675/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 PDE8B 613/4885ALDH1A1 851/4885MAPK1 3675/4885

“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.