SCHEMBL6202269

SCHEMBL6202269

CCc1nn(Cc2ccccn2)c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
ADRA1D P25100 1/20 0.39
GABRA5 P31644 1/20 0.39
USP2 O75604 1/20 0.38
MGMT P16455 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6446672 0.91 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1ADRA1DUSP2
SCHEMBL6444199 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1L3MBTL1KMT2ACYP1A2
SCHEMBL7004394 0.85 KDM4E (0.41) SMN1; SMN2KDM4EALDH1A1ADRA1DMGMT
SCHEMBL6446623 0.83 NPSR1 (0.41) SMN1; SMN2KDM4EALDH1A1ADRA1DMGMT
SCHEMBL6446279 0.82 USP2 (0.44) KDM4EALDH1A1ADRA1DGABRA5USP2
SCHEMBL6200741 0.80 ALDH1A1 (0.39) KDM4EALDH1A1ADRA1DGABRA5MGMT
SCHEMBL6443280 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL6446531 0.76 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1ADRA1DUSP2
SCHEMBL6447516 0.76 USP2 (0.50) SMN1; SMN2KDM4EALDH1A1ADRA1DGABRA5
SCHEMBL28038421 0.76 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP disclosed
US-6916927-B2 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3′,5′-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC. 2005-07-12 US disclosed
EP-0994115-B1 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof PFIZER LTD (GB) 2005-03-02 EP disclosed
EP-1092720-B1 Process for the preparation of pyrazolo [4,3-d] pyrimidin-7-ones-3-pyridylsulphonyl compounds and intermediates thereof PFIZER LTD (GB) 2005-01-12 EP disclosed
US-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC 2004-09-16 US disclosed
EP-1220855-B1 ANHYDROUS SALT PFIZER LTD (GB) 2004-05-19 EP disclosed
US-6723719-B1 DYSMENORRHOEA, BENIGN PROSTATIC HYPERPLASIA (BPH), BLADDER OUTLET OBSTRUCTION, INCONTINENCE, AGINA, CONGESTIVE HEART FAILURE, ATHEROSCLEROSIS; HYPOTENSIVE AND ANTIALLERGEN AGENTS PFIZER INC 2004-04-20 US disclosed
US-6670366-B1 Cyclic guanosine 3',5'-monophosphate phosphodiesterase inhibitors; impotence; pyrazolo(4,3-d)pyrimidin-7-ones PFIZER INC 2003-12-30 US disclosed
EP-1371647-A2 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER INC. (US) 2003-12-17 EP disclosed
EP-1073658-B1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER (US) 2003-08-13 EP disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 US disclosed
WO-2001027101-A2 ANHYDROUS SALT PFIZER LIMITED (GB) 2001-04-19 WO disclosed
EP-1092720-A2 Process for the preparation of pyrazolo [4,3-d] pyrimidin-7-ones-3-pyridylsulphonyl compounds and intermediates thereof Pfizer Limited (GB) 2001-04-18 EP disclosed
US-6207829-B1 CYCLIZATION OF A CORRESPONDING PYRAZOLE COMPOUND PFIZER INC. 2001-03-27 US disclosed
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
EP-0995750-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed
EP-0994115-A2 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof Pfizer Limited (GB) 2000-04-19 EP disclosed
EP-0977756-A1 PYRAZOLOPYRIMIDINONES WHICH INHIBIT TYPE 5 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (cGMP PDE5) FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2000-02-09 EP disclosed
WO-1999054333-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 1999-10-28 WO disclosed
WO-1998049166-A1 PYRAZOLOPYRIMIDINONES WHICH INHIBIT TYPE 5 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (cGMP PDE5) FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 1998-11-05 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 (1 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-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B SMN1; SMN2 2110/4885KDM4E 996/4885ALDH1A1 266/4885

“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.