SCHEMBL6357080

SCHEMBL6357080

CCc1nn(CCN2CCOCC2)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL28038421 0.82 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1POLBALDH1A1KDM4E
SCHEMBL6629811 0.80 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1POLBALDH1A1KMT2A
SCHEMBL28038719 0.79 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL6363517 0.79 GAA (0.46) SMN1; SMN2GAAL3MBTL1POLBALDH1A1
SCHEMBL28038424 0.78 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL28038427 0.78 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL28038495 0.78 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL3579717 0.78 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1POLBALDH1A1KDM4E
SCHEMBL1527735 0.77 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1POLBALDH1A1KDM4E
SCHEMBL27564695 0.77 ALDH1A1 (0.36) SMN1; SMN2GAAALDH1A1KDM4EMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143367-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof PFIZER INC 2005-06-30 US disclosed
US-6809200-B2 REACTING 5-ACETYL-N-(3-(AMINOCARBONYL)-5-ETHYL-1-(1-ETHYL-3-AZETIDINYL)-1H-PYRAZOL4 -YL)-2-ETHOXYNICOTINAMIDE, IN PRESENCE OF ALCOHOL OR ALKOXY COMPOUND AND A HYDROXIDE TRAPPING AGENT OR BASE PFIZER INC. 2004-10-26 US disclosed
US-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 US disclosed
CN-1378547-A 5-(2-substituted-5-heterocyclylsulphenylpyrid-3-yl)-dihydropyrazolo [4,3-d] pyrimidin 7-ones as phosphodiesterase inhibitors PFIZER LTD (US) 2002-11-06 CN disclosed
EP-1222190-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2002-07-17 EP disclosed
US-20020038024-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof PFIZER INC. 2002-03-28 US disclosed
EP-1176147-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof Pfizer Limited (GB) 2002-01-30 EP disclosed
WO-2001027112-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2001-04-19 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 (3 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-20020038024-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof DPYD, HPRT1, SAMHD1 SMN1; SMN2 2390/4885GAA 1066/4885L3MBTL1 4524/4885
US-20050143367-A1 Process for the preparation of pyrazolo[4,3-d]pyrimidin-7-one compounds and intermediates thereof NOX4, VKORC1, DPYD SMN1; SMN2 2682/4885GAA 1737/4885L3MBTL1 4771/4885
US-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A SMN1; SMN2 2159/4885GAA 84/4885L3MBTL1 3625/4885

“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.