SCHEMBL331635

SCHEMBL331635

CCOCCn1nc(C(=O)O)c([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HCAR3 P49019 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.34
MAPT P10636 5/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PKM P14618 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 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
SCHEMBL332743 0.91 MEN1 (0.41) MEN1KMT2AHCAR3SMN1; SMN2MAPT
SCHEMBL330893 0.91 KMT2A (0.38) MEN1KMT2AHCAR3SMN1; SMN2NPC1
SCHEMBL27623414 0.90 MEN1 (0.40) MEN1KMT2AHCAR3SMN1; SMN2MAPT
SCHEMBL331886 0.87 MEN1 (0.39) MEN1KMT2AHCAR3SMN1; SMN2MAPT
SCHEMBL331722 0.86 MEN1 (0.39) MEN1KMT2AHCAR3SMN1; SMN2NPC1
SCHEMBL5370483 0.84 MEN1 (0.32) MEN1KMT2AMAPTPKM
SCHEMBL8253700 0.83 MEN1 (0.42) MEN1KMT2AHCAR3SMN1; SMN2MAPT
SCHEMBL331842 0.83 MEN1 (0.35) MEN1KMT2ASMN1; SMN2NPC1MAPT
SCHEMBL333010 0.83 MEN1 (0.38) MEN1KMT2ASMN1; SMN2MAPTCNR1
SCHEMBL8295292 0.82 KMT2A (0.38) MEN1KMT2ASMN1; SMN2NPC1MAPT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796287-B2 Anhydrous crystalline forms of N-[1-(2-ethoxyethyl)-5-(N-ethyl-N-methylamino)-7-(4-methylpyridin-2-yl-amino)-1H-pyrazolo[4,3-d]pyrimidine-3-carbonyl]methanesulfonamide PFIZER INC. (US) 2014-08-05 US disclosed
US-8796288-B2 Anhydrous crystalline forms of N-[1-(2-ethoxyethyl)-5-(N-ethyl-N-methylamino)-7-(4-methylpyridin-2-yl-amino)-1H-pyrazolo[4,3-d]pyrimidine-3-carbonyl]methanesulfonamide PFIZER INC. (US) 2014-08-05 US disclosed
US-20120214827-A1 Anhydrous Crystalline Forms of N-[1-(2-ethoxyethyl)-5-(N-ethyl-N-methylamino)-7-(4-methylpyridin-2-yl-amino)-1H-pyrazolo[4,3-d]pyrimidine-3-carbonyl]methanesulfonamide PFIZER INC. (US) 2012-08-23 US disclosed
US-20120208830-A1 Anhydrous Crystalline Forms of N-[1-(2-ethoxyethyl)-5-(N-ethyl-N-methylamino)-7-(4-methylpyridin-2-yl-amino)-1H-pyrazolo[4,3-d]pyrimidine-3-carbonyl]methanesulfonamide PFIZER INC. (US) 2012-08-16 US disclosed
US-8227475-B2 Anhydrous crystalline forms of N-[1-(2-ethoxyethyl)-5-(N-ethyl-N-methylamino)-7-(4-methylpyridin-2-yl-amino)-1H-pyrazolo[4,3-d]pyrimidine-3-carbonyl]methanesulfonamide PFIZER INC. (US) 2012-07-24 US disclosed
US-8097621-B2 Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-1881985-B1 ANHYDROUS CRYSTALLINE FORMS OF N-Ý1-(2-ETHOXYETHYL)-5-(N-ETHYL-N-METHYLAMINO)-7-(4-METHYLPYRIDIN-2-YL-AMINO)-1H-PYRAZOLO[4,3-D]PYRIMIDINE-3-CARBONYL¨METHANESULFONAMIDE PFIZER (US) 2010-12-29 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
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-1809632-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-07-25 EP disclosed
US-20070105877-A1 Pyrazolopyrimidines PFIZER INC 2007-05-10 US disclosed
WO-2006120552-A2 ANHYDROUS CRYSTALLINE FORMS OF N-[1-(2-ETHOXYETHYL)-5-(N-ETHYL-N-METHYLAMINO)-7-(4-METHYLPYRIDIN-2-yl-AMINO)-1H-PYRAZOLO[4,3-d]PYRIMIDINE-3-CARBONYL]METHANESULFONAMIDE PFIZER INC. (US) 2006-11-16 WO disclosed
EP-1689751-A1 5,7-DIAMINOPYRAZOLO¬4,3-D|PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY Pfizer Limited (GB) 2006-08-16 EP disclosed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 WO 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-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 (6 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 4632/4885HCAR3 1926/4885
US-20120214827-A1 Anhydrous Crystalline Forms of N-[1-(2-ethoxyethyl)-5-(N-ethyl-N-methylamino)-7-(4-methylpyridin-2-yl-amino)-1H-pyrazolo[4,3-d]pyrimidine-3-carbonyl]methanesulfonamide PDE5A, PDE3A, PDE3B MEN1 2149/4885KMT2A 3528/4885HCAR3 1470/4885
US-20050245544-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 MEN1 702/4885KMT2A 4632/4885HCAR3 1926/4885
US-20070105877-A1 Pyrazolopyrimidines DPYD, CYP2D6, TPMT MEN1 929/4885KMT2A 3078/4885HCAR3 4048/4885
US-20120208830-A1 Anhydrous Crystalline Forms of N-[1-(2-ethoxyethyl)-5-(N-ethyl-N-methylamino)-7-(4-methylpyridin-2-yl-amino)-1H-pyrazolo[4,3-d]pyrimidine-3-carbonyl]methanesulfonamide PDE5A, PDE3A, PDE3B MEN1 2149/4885KMT2A 3528/4885HCAR3 1470/4885
US-20090247539-A1 Novel Pharmaceuticals ABCB11, PCSK9, SLC10A1 MEN1 702/4885KMT2A 4632/4885HCAR3 1926/4885

“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.