SCHEMBL332427

SCHEMBL332427

COC(=O)c1nn(C[C@H](C)OC)c(C(N)=O)c1N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 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
SCHEMBL27673825 1.00 CYP1A2 (0.33) CYP1A2SMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL13655382 0.84 NPSR1 (0.31) NPSR1
SCHEMBL27674176 0.82 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1
SCHEMBL331614 0.82 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EALDH1A1
SCHEMBL331349 0.78 ALDH1A1 (0.36) CYP1A2SMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL8296737 0.75 POLB (0.37) SMN1; SMN2NPSR1ALDH1A1
SCHEMBL7002826 0.74 CYP1A2 (0.60) CYP1A2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL333012 0.74 ALDH1A1 (0.33) CYP1A2SMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL14113963 0.74 CYP1A2 (0.32) CYP1A2SMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL331072 0.74 CYP1A2 (0.32) CYP1A2SMN1; SMN2KDM4E

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 21 patents — showing the first 20. 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
CN-1882591-B 5, 7-diaminopyrazolo [4,3-d ] pyrimidines with PDE-5 inhibiting activity PFIZER LTD 2011-08-10 CN disclosed
CN-101362764-B 5,7-diaminopyrazolo '4,3-d!pyrimidines with PDE-5 inhibiting activity PFIZER 2011-04-20 CN disclosed
CN-101362765-B 5,7-diaminopyrazolo '4,3-d-pyrimidines with PDE-5 inhibiting activity PFIZER 2011-02-02 CN disclosed
EP-1689751-B1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LTD (GB) 2010-10-20 EP disclosed
CN-101647802-A 5,7-diaminopyrazolo [4,3-d] pyrimidines with pde-5 inhibiting activity and composition thereof PFIZER LTD US 2010-02-17 CN 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
CN-101362765-A 5,7-diaminopyrazolo '4,3-d!pyrimidines with PDE-5 inhibiting activity PFIZER (US) 2009-02-11 CN disclosed
CN-101362764-A 5,7-diaminopyrazolo '4,3-d!pyrimidines with PDE-5 inhibiting activity PFIZER (US) 2009-02-11 CN disclosed
CN-1882591-A 5, 7-diaminopyrazolo [4, 3-d ] pyrimidines with PDE-5 inhibiting activity PFIZER LTD (US) 2006-12-20 CN disclosed
EP-1689751-A1 5,7-DIAMINOPYRAZOLO¬4,3-D|PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY Pfizer Limited (GB) 2006-08-16 EP 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
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 CYP1A2 86/4885SMN1; SMN2 2626/4885NPSR1 99/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 CYP1A2 86/4885SMN1; SMN2 2626/4885NPSR1 99/4885

“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.