SCHEMBL331614

SCHEMBL331614

COC(=O)c1nn(C[C@H](C)OC)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 3/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
NPC1 O15118 1/20 0.30
RECQL P46063 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
SCHEMBL27674176 1.00 SMN1; SMN2 (0.39) SMN1; SMN2POLBHTTALDH1A1MEN1
SCHEMBL8296737 0.91 POLB (0.37) SMN1; SMN2POLBHTTALDH1A1MEN1
SCHEMBL332155 0.89 POLB (0.36) SMN1; SMN2POLBHTTALDH1A1MEN1
SCHEMBL28762839 0.89 POLB (0.36) SMN1; SMN2POLBHTTALDH1A1MEN1
SCHEMBL27801963 0.83 SMN1; SMN2 (0.36) SMN1; SMN2POLBHTTALDH1A1MEN1
SCHEMBL27673825 0.82 CYP1A2 (0.33) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL332427 0.82 CYP1A2 (0.33) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL331829 0.81 LMNA (0.37) SMN1; SMN2POLBHTTALDH1A1MEN1
SCHEMBL13008386 0.81 SMN1; SMN2 (0.44) SMN1; SMN2POLBHTTALDH1A1MEN1
SCHEMBL331640 0.81 SMN1; SMN2 (0.40) SMN1; SMN2POLBHTTALDH1A1MEN1

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 16 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
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-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-101362764-A 5,7-diaminopyrazolo '4,3-d!pyrimidines with PDE-5 inhibiting activity PFIZER (US) 2009-02-11 CN disclosed
CN-101362765-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

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 SMN1; SMN2 2626/4885POLB 4781/4885HTT 2457/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 SMN1; SMN2 2626/4885POLB 4781/4885HTT 2457/4885

“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.