SCHEMBL331669

SCHEMBL331669

COC(=O)c1nn(CCOCC2CC2)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL331776 0.85 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL332114 0.84 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL331351 0.84 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL331219 0.84 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL331689 0.84 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL331516 0.83 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL333030 0.82 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL330524 0.82 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL331948 0.81 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13008386 0.81 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1

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 14 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
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-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 SMN1; SMN2 2626/4885MEN1 702/4885KMT2A 4632/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 SMN1; SMN2 2626/4885MEN1 702/4885KMT2A 4632/4885

“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.