Sugi Predict

Sugi Predict / Compounds / SCHEMBL333010

SCHEMBL333010

SCHEMBL333010

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ PKM P14618 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ F2 P00734 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ KLKB1 P03952 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ CTRB1 P17538 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL10252097 0.93 MEN1 (0.39) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL8295292 0.92 KMT2A (0.38) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL332743 0.92 MEN1 (0.41) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL330893 0.91 KMT2A (0.38) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL331351 0.89 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL331607 0.87 MEN1 (0.36) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL331756 0.86 MEN1 (0.35) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL332681 0.85 MEN1 (0.36) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL331457 0.85 MEN1 (0.36) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL13655169 0.85 CNR1 (0.35) MEN1KMT2ASMN1; SMN2CNR1CNR2

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
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
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
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-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 — — EP disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 — — US disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 — — US 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-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 — — 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-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
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 (4 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 MEN1 702/4885KMT2A 4632/4885SMN1; SMN2 2626/4885
US-20050245544-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 MEN1 702/4885KMT2A 4632/4885SMN1; SMN2 2626/4885
US-20070270412-A1 NOVEL PHARMACEUTICALS ABCB11, PCSK9, SLC10A1 MEN1 702/4885KMT2A 4632/4885SMN1; SMN2 2626/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 MEN1 702/4885KMT2A 4632/4885SMN1; 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.