SCHEMBL799

SCHEMBL799

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

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.86
KMT2A Q03164 3/20 0.86
MEN1 O00255 2/20 0.86
ALDH1A1 P00352 2/20 0.86
HPGD P15428 2/20 0.86
PDE1A P54750 2/20 0.86
PDE1B Q01064 2/20 0.86
PDE1C Q14123 2/20 0.86
PDE3B Q13370 2/20 0.77
PDE3A Q14432 2/20 0.77
PDE6C P51160 2/20 0.62
KDM4E B2RXH2 3/20 0.61
PDE2A O00408 1/20 0.58
PDE6D O43924 1/20 0.58
USP2 O75604 1/20 0.58
PDE9A O76083 1/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 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
SCHEMBL31202656 1.00 PDE5A (0.86) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL6718781 0.95 PDE5A (0.85) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL31174349 0.93 PDE5A (1.00) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL1202 0.93 PDE5A (1.00) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL6716699 0.91 PDE5A (0.79) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL3316795 0.89 PDE5A (0.82) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL6719476 0.89 PDE5A (0.81) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL1160 0.88 PDE5A (0.80) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL5462416 0.88 PDE5A (0.67) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL7965689 0.87 PDE5A (0.67) PDE5AKMT2AMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof THE INSTITUTE OF RADIATION MEDICINE, ACADEMY OF MILITARY MEDICAL SCIENCES, PLA (CN) 2007-09-20 US disclosed
EP-1695976-A1 PYRAZOLOPYRIMIDINETHIONE DERIVATIVES, SALTS AND SOLVATES THEREOF, PREPARATION METHODS AND USE THEREOF Institute of Radiation Medicine Academy of Military Medical Sciences of the Pla (CN) 2006-08-30 EP disclosed
US-20040176371-A1 Novel pyrazolopyrimidinethione derivatives, preparation methods thereof and their use as therapeutics for erectile dysfunction KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-09-09 US disclosed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
US-5719283-A INHIBITORS OF PHOSPHODIESTERASES; CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1998-02-17 US disclosed
EP-0526004-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1997-10-08 EP disclosed
US-5426107-A Treatment of cardiovascular disorders, asthma, allergies PFIZER INC. (US) 1995-06-20 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-5272147-A Pyrazolopyrimidinone antianginal agents PFIZER INC. (US) 1993-12-21 US disclosed
US-5250534-A Inhibitors of cyclic guanosine 3*,5*-monophosphate phosphodiesterase PFIZER INC. (US) 1993-10-05 US disclosed
EP-0526004-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1993-02-03 EP 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 (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-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof PDE5A, PDE3B, PDE3A PDE5A 1/4885KMT2A 3164/4885MEN1 4118/4885
US-20040176371-A1 Novel pyrazolopyrimidinethione derivatives, preparation methods thereof and their use as therapeutics for erectile dysfunction PDE3B, PDE3A, PDE5A PDE5A 3/4885KMT2A 4233/4885MEN1 4650/4885

“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.