SCHEMBL330893

SCHEMBL330893

CCCOCCn1nc(C(=O)O)c([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.38
MEN1 O00255 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 5/20 0.33
NPC1 O15118 2/20 0.33
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HCAR3 P49019 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
SCHEMBL333010 0.91 MEN1 (0.38) KMT2AMEN1SMN1; SMN2PKMCNR1
SCHEMBL331635 0.91 MEN1 (0.41) KMT2AMEN1SMN1; SMN2PKMCNR1
SCHEMBL8295292 0.90 KMT2A (0.38) KMT2AMEN1SMN1; SMN2PKMCNR1
SCHEMBL331886 0.89 MEN1 (0.39) KMT2AMEN1SMN1; SMN2PKMCNR1
SCHEMBL331722 0.85 MEN1 (0.39) KMT2AMEN1SMN1; SMN2PKMCNR1
SCHEMBL10252097 0.84 MEN1 (0.39) KMT2AMEN1SMN1; SMN2PKMCNR1
SCHEMBL332743 0.82 MEN1 (0.41) KMT2AMEN1SMN1; SMN2CNR1CNR2
SCHEMBL5370483 0.82 MEN1 (0.32) KMT2AMEN1PKMMAPTALDH1A1
SCHEMBL331842 0.82 MEN1 (0.35) KMT2AMEN1SMN1; SMN2PKMCNR1
SCHEMBL27623414 0.81 MEN1 (0.40) KMT2AMEN1SMN1; SMN2PKMCNR1

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 15 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
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-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 US disclosed
EP-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 EP disclosed
EP-1689752-B1 PYRAZOLOPYRIMIDINES PFIZER LTD (GB) 2008-02-27 EP disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 US disclosed
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 US disclosed
US-20070105877-A1 Pyrazolopyrimidines PFIZER INC 2007-05-10 US disclosed
EP-1689752-A1 PYRAZOLOPYRIMIDINES Pfizer Limited (GB) 2006-08-16 EP disclosed
EP-1620437-A1 5,7-DIAMINOPYRAZOLO[4,3-D]PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20050245544-A1 Novel pharmaceuticals AMPLIFIED PROTEOMICS INC. 2005-11-03 US disclosed
WO-2005049617-A1 PYRAZOLOPYRIMIDINES PFIZER LIMITED (GB) 2005-06-02 WO disclosed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 US disclosed
WO-2004096810-A1 5,7-DIAMINOPYRAZOLO`4,3-D!PYRIMIDINES USEFUL IN THE TREATMENT OF HYPERTENSION PFIZER LIMITED (GB) 2004-11-11 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 (5 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-20050043325-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 KMT2A 4632/4885MEN1 702/4885SMN1; SMN2 2626/4885
US-20050245544-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 KMT2A 4632/4885MEN1 702/4885SMN1; SMN2 2626/4885
US-20070105877-A1 Pyrazolopyrimidines DPYD, CYP2D6, TPMT KMT2A 3078/4885MEN1 929/4885SMN1; SMN2 1537/4885
US-20070270412-A1 NOVEL PHARMACEUTICALS ABCB11, PCSK9, SLC10A1 KMT2A 4632/4885MEN1 702/4885SMN1; SMN2 2626/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 KMT2A 4632/4885MEN1 702/4885SMN1; SMN2 2626/4885

“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.