SCHEMBL331349

SCHEMBL331349

COCCn1nc(C(=O)OC)c(N)c1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.36
KDM4E B2RXH2 11/20 0.36
GAA P10253 9/20 0.36
HPGD P15428 9/20 0.36
HSD17B10 Q99714 7/20 0.36
GLA P06280 7/20 0.36
CASP1 P29466 5/20 0.36
CASP7 P55210 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ATM Q13315 3/20 0.33
TSHR P16473 3/20 0.33
THRB P10828 2/20 0.33
MAPK1 P28482 2/20 0.33
RUNX1 Q01196 1/20 0.33
CBFB Q13951 1/20 0.33

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
SCHEMBL331611 0.88 KDM4E (0.36) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL333012 0.87 ALDH1A1 (0.33) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL331072 0.83 CYP1A2 (0.32) KDM4EL3MBTL1SMN1; SMN2CYP1A2
SCHEMBL332176 0.83 CACNA1G (0.33) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL331739 0.83 KDM4E (0.30) KDM4EL3MBTL1SMN1; SMN2CYP1A2CNR1
SCHEMBL332149 0.82 KDM4E (0.30) KDM4EL3MBTL1
SCHEMBL332118 0.82 CFD (0.31)
SCHEMBL14113963 0.81 CYP1A2 (0.32) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL331219 0.81 SMN1; SMN2 (0.43) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL7004410 0.79 NPSR1 (0.41) ALDH1A1KDM4EGAAHPGDHSD17B10

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 13 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
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 (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 ALDH1A1 851/4885KDM4E 3392/4885GAA 55/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 ALDH1A1 851/4885KDM4E 3392/4885GAA 55/4885

“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.