SCHEMBL1028

SCHEMBL1028

CCCc1n[nH]c2c(=O)[nH]c(-c3ccccc3OCC)nc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.68
PDE1A P54750 7/20 0.64
PDE1B Q01064 7/20 0.64
PDE1C Q14123 7/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
KMT2A Q03164 2/20 0.64
GUSB P08236 1/20 0.55
KDM4E B2RXH2 2/20 0.53
PDE2A O00408 1/20 0.53
PDE6D O43924 1/20 0.53
USP2 O75604 1/20 0.53
PDE9A O76083 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
PDE6A P16499 1/20 0.53
PDE6G P18545 1/20 0.53

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
SCHEMBL6202064 0.92 PDE5A (0.63) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6339955 0.90 PDE5A (0.54) PDE5APDE1APDE1BPDE1CMEN1
Potassium Ion SCHEMBL7465463 0.87 PDE5A (0.57) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL26766351 0.86 PDE5A (0.51) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6332419 0.85 PDE5A (0.62) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL6332612 0.84 PDE5A (0.61) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL16972452 0.83 PDE1A (0.48) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL835 0.82 KMT2A (0.56) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL1202 0.78 PDE5A (1.00) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL31174349 0.78 PDE5A (1.00) PDE5APDE1APDE1BPDE1CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-6670366-B1 Cyclic guanosine 3',5'-monophosphate phosphodiesterase inhibitors; impotence; pyrazolo(4,3-d)pyrimidin-7-ones PFIZER INC 2003-12-30 US disclosed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0995750-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed
US-5719283-A INHIBITORS OF PHOSPHODIESTERASES; CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1998-02-17 US disclosed
EP-0463756-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1995-04-19 EP disclosed
US-5346901-A Treatment of angina, hypertension, heart failure and atherosclerosis PFIZER INC. (US) 1994-09-13 US disclosed
US-5250534-A Inhibitors of cyclic guanosine 3*,5*-monophosphate phosphodiesterase PFIZER INC. (US) 1993-10-05 US disclosed
EP-0463756-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1992-01-02 EP 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 1/4885PDE1A 38/4885PDE1B 49/4885

“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.