SCHEMBL331948

SCHEMBL331948

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
POLB P06746 1/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL8296877 0.91 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL333030 0.90 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2APOLBPKM
SCHEMBL331756 0.90 MEN1 (0.35) SMN1; SMN2MEN1KMT2APOLBPKM
SCHEMBL331351 0.87 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2APOLBPKM
SCHEMBL332114 0.87 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2APOLBPKM
SCHEMBL331689 0.86 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL331776 0.85 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2APOLBALDH1A1
SCHEMBL332149 0.84 KDM4E (0.30)
SCHEMBL331219 0.84 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2APOLBPKM
SCHEMBL330524 0.84 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2APOLBALDH1A1

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
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
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
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
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 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.