SCHEMBL5595608

SCHEMBL5595608

CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc2c(CCC)nn(Cc3ccccn3)c2c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.69
PDE3B Q13370 3/20 0.69
PDE3A Q14432 3/20 0.69
PDE1A P54750 2/20 0.58
PDE1B Q01064 2/20 0.58
PDE1C Q14123 2/20 0.58
PDE2A O00408 1/20 0.58
ABCC4 O15439 1/20 0.58
ABCC5 O15440 1/20 0.58
PDE6D O43924 1/20 0.58
PDE8A O60658 1/20 0.58
PDE9A O76083 1/20 0.58
ABCB11 O95342 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
PDE6A P16499 1/20 0.58
PDE6G P18545 1/20 0.58
PDE4A P27815 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58

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
SCHEMBL439392 0.90 PDE5A (0.78) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6776160 0.89 PDE5A (0.69) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5596504 0.89 PDE5A (0.80) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5079364 0.89 PDE5A (0.79) PDE5APDE6CPDE11A
SCHEMBL6332020 0.89 PDE5A (0.69) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6340435 0.88 PDE5A (0.67) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6332389 0.88 PDE5A (0.72) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL1190 0.87 PDE5A (0.90) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL31202702 0.87 PDE5A (0.90) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6334181 0.87 PDE5A (0.87) PDE5APDE3BPDE3APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
US-6225315-B1 ADMINISTERING A CGMP PDE INHIBITOR. PFIZER INC 2001-05-01 US claimed
EP-1022026-A2 Pharmaceutical compositions for treating nitrate-induced tolerance Pfizer Limited (GB) 2000-07-26 EP claimed
US-20070197560-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2007-08-23 US 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
US-20040214831-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2004-10-28 US 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
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-20010055570-A1 Cyclic guanosine 3',5'-monophosphate phosphodiesterases (cGMP PDEs); using specified pyrazolopyrimidinone or aminoquinazoline derivatives NAEF RETO (CH) 2001-12-27 US disclosed
US-6225315-B1 ADMINISTERING A CGMP PDE INHIBITOR. PFIZER INC 2001-05-01 US disclosed
EP-1022026-A2 Pharmaceutical compositions for treating nitrate-induced tolerance Pfizer Limited (GB) 2000-07-26 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-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 PDE5A 1/4885PDE3B 3/4885PDE3A 2/4885

“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.