Sugi Predict

Sugi Predict / Compounds / SCHEMBL3579717

SCHEMBL3579717

SCHEMBL3579717

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ POLB P06746 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TERT O14746 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 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
SCHEMBL3583425 0.90 SMN1; SMN2 (0.67) SMN1; SMN2POLBKDM4ECTDSP1TDP1
SCHEMBL1527735 0.89 SMN1; SMN2 (0.51) SMN1; SMN2POLBKDM4ECTDSP1TDP1
SCHEMBL28038421 0.87 SMN1; SMN2 (0.60) SMN1; SMN2POLBKDM4ECTDSP1TDP1
SCHEMBL8262515 0.83 SMN1; SMN2 (0.46) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL28038719 0.83 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1KMT2AMEN1MAPT
SCHEMBL331219 0.82 SMN1; SMN2 (0.43) SMN1; SMN2POLBKDM4ECTDSP1TDP1
SCHEMBL28038495 0.82 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1KMT2AMEN1MAPT
SCHEMBL28038427 0.82 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1KMT2AMEN1MAPT
SCHEMBL28038424 0.82 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1KMT2AMEN1MAPT
SCHEMBL3583127 0.80 TERT (0.35) SMN1; SMN2KDM4EALDH1A1TERTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 — — US disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 — — US disclosed
CN-100383141-C Pyrazolo [4,3-d] pyrimidine derivatives PFIZER (US) 2008-04-23 — — CN disclosed
CN-100378100-C Pyrazolo(4,3-d)pyrimidine derivatives PFIZER (US) 2008-04-02 — — CN disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 — — US disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 — — US disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 — — US disclosed
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PFIZER INC 2006-12-28 — — US disclosed
CN-1680378-A Pyrazolo(4,3-d)pyrimidine derivatives PFIZER (US) 2005-10-12 — — CN disclosed
CN-1204138-C Pyrazolo [4, 3-d ] pyrimidine derivatives PFIZER LTD (US) 2005-06-01 — — CN disclosed
US-20040152712-A1 Pharmaceutically active compounds PFIZER INC. 2004-08-05 — — 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-6677335-B1 PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE DERIVATIVES; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; SEXUAL AND UROGENITAL DISORDERS PFIZER INC 2004-01-13 — — US disclosed
EP-1368352-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2003-12-10 — — EP 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
WO-2002074774-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2002-09-26 — — WO disclosed
EP-1220856-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2002-07-10 — — EP disclosed
WO-2001027113-A2 PYRAZOLO `4,3-d! PYRIMIDINE DERIVATIVES 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 (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-20100035891-A1 Pharmaceutically Active Compounds PDE5A, PDE3A, PDE3B SMN1; SMN2 1628/4885POLB 1629/4885KDM4E 1883/4885
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PDE5A, PDE3A, PDE3B SMN1; SMN2 1628/4885POLB 1629/4885KDM4E 1883/4885
US-20040152712-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A SMN1; SMN2 1627/4885POLB 931/4885KDM4E 1524/4885
US-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A SMN1; SMN2 2159/4885POLB 1558/4885KDM4E 2204/4885

“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.