SCHEMBL1392

SCHEMBL1392

CCOc1ccccc1-c1nc2c(C)nn(C)c2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 1.00
PDE1A P54750 5/20 0.75
PDE1B Q01064 5/20 0.75
PDE1C Q14123 5/20 0.75
KDM4E B2RXH2 1/20 0.75
MEN1 O00255 1/20 0.75
ALDH1A1 P00352 1/20 0.75
HPGD P15428 1/20 0.75
KMT2A Q03164 1/20 0.75
PDE3B Q13370 1/20 0.59
PDE3A Q14432 1/20 0.59
GUSB P08236 1/20 0.56

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
SCHEMBL12462404 0.88 PDE5A (0.84) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5230167 0.87 PDE5A (0.77) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL31174349 0.86 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL1202 0.86 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL1751 0.85 PDE5A (0.83) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL12341662 0.82 PDE5A (0.69) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5230160 0.81 PDE5A (0.68) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL845 0.81 PDE5A (0.68) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL6330165 0.79 PDE5A (0.65) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL6642645 0.78 PDE5A (0.67) PDE5APDE1APDE1BPDE1CKDM4E

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
EP-1759700-A1 Use of a PDE5 inhibitor for treating and preventing hypopigmentary disorders Switch Biotech Aktiengesellschaft (DE) 2007-03-07 EP disclosed
WO-2006018088-A1 USE OF A PDE 5 INHIBITOR FOR TREATING AND PREVENTING HYPOPIGMENTARY DISORDERS SWITCH BIOTECH AG (DE) 2006-02-23 WO 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-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