SCHEMBL331611

SCHEMBL331611

CCOCCn1nc(C(=O)OC)c(N)c1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HCAR3 P49019 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 2/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL333012 0.91 ALDH1A1 (0.33) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL331349 0.88 ALDH1A1 (0.36) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL331072 0.85 CYP1A2 (0.32) KDM4ESMN1; SMN2CYP1A2L3MBTL1
SCHEMBL331739 0.85 KDM4E (0.30) KDM4ESMN1; SMN2CYP1A2L3MBTL1
SCHEMBL332176 0.85 CACNA1G (0.33) KDM4EHPGDALDH1A1SMN1; SMN2CYP1A2
SCHEMBL332149 0.84 KDM4E (0.30) KDM4EL3MBTL1
SCHEMBL331776 0.83 SMN1; SMN2 (0.43) KDM4EALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL13093816 0.82 ALDH1A1 (0.45) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13093837 0.81 PKM (0.37) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1527696 0.80 HCAR3 (0.34) HCAR3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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-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-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
CN-1780841-A 5,7-diaminopyrazolo[4,3-d]pyrimidines useful in the traetment of hypertension PFIZER LTD (GB) 2006-05-31 CN 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-2005097799-A1 PYRAZOLO`4,3-D! PYRIMIDINES PFIZER LIMITED (GB) 2005-10-20 WO disclosed
WO-2005049616-A1 5,7-DIAMINOPYRAZOLO [4,3-d] PYRIMIDINES WITH PDE-5 INHIBITING ACTIVITY PFIZER LIMITED (GB) 2005-06-02 WO 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
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 KDM4E 3392/4885HPGD 1486/4885ALDH1A1 851/4885
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 KDM4E 620/4885HPGD 202/4885ALDH1A1 469/4885
US-20050245544-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 KDM4E 3392/4885HPGD 1486/4885ALDH1A1 851/4885
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 KDM4E 620/4885HPGD 202/4885ALDH1A1 469/4885

“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.