SCHEMBL6202064

SCHEMBL6202064

CCCOc1ccccc1-c1nc2c(CCC)n[nH]c2c(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.63
ALDH1A1 P00352 3/20 0.63
KMT2A Q03164 3/20 0.63
KDM4E B2RXH2 2/20 0.63
MEN1 O00255 2/20 0.63
HPGD P15428 2/20 0.63
PDE1A P54750 2/20 0.63
PDE1B Q01064 2/20 0.63
PDE1C Q14123 2/20 0.63
PDE2A O00408 1/20 0.63
PDE6D O43924 1/20 0.63
USP2 O75604 1/20 0.63
PDE9A O76083 1/20 0.63
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.63
MAPT P10636 1/20 0.63
ALOX15 P16050 1/20 0.63
PDE6A P16499 1/20 0.63
PDE6G P18545 1/20 0.63
PDE4A P27815 1/20 0.63

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
Potassium Ion SCHEMBL7465463 0.94 PDE5A (0.57) PDE5AALDH1A1KMT2AKDM4EMEN1
SCHEMBL1028 0.92 PDE5A (0.68) PDE5AALDH1A1KMT2AKDM4EMEN1
SCHEMBL6332612 0.92 PDE5A (0.61) PDE5AALDH1A1KMT2AKDM4EMEN1
SCHEMBL6339955 0.89 PDE5A (0.54) PDE5AALDH1A1KMT2AKDM4EMEN1
SCHEMBL5671054 0.85 PDE5A (0.48) PDE5AALDH1A1KMT2AKDM4EMEN1
SCHEMBL7004159 0.82 PDE5A (0.57) PDE5AALDH1A1KMT2AKDM4EMEN1
SCHEMBL7001635 0.79 PDE5A (0.56) PDE5AALDH1A1KMT2AKDM4EMEN1
SCHEMBL31202656 0.79 PDE5A (0.86) PDE5AALDH1A1KMT2AKDM4EMEN1
SCHEMBL799 0.79 PDE5A (0.86) PDE5AALDH1A1KMT2AKDM4EMEN1
SCHEMBL7446947 0.79 ALDH1A1 (0.46) PDE5AALDH1A1KMT2AKDM4EMEN1

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 8 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
EP-1372656-B1 PYRAZOLO[4,3-D]PYRIMIDINONE COMPOUNDS AS CGMP PDE INHIBITORS PFIZER LTD (GB) 2005-06-22 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
US-6784185-B2 PYRAZOLO(4,3-D) PYRIMIDINONE COMPOUNDS USEFUL AS CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASES (CGMP PDES) INHIBITOR PFIZER INC. 2004-08-31 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-20020198223-A1 Pharmaceutically active compounds PFIZER INC. 2002-12-26 US disclosed
EP-0995750-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 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 (2 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 1/4885ALDH1A1 266/4885KMT2A 4191/4885
US-20020198223-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A PDE5A 1/4885ALDH1A1 298/4885KMT2A 4603/4885

“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.