SCHEMBL7965712

SCHEMBL7965712

CCCOc1ccccc1-c1nc2[nH]ncc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 1.00
PDE4A P27815 2/20 0.60
PDE4B Q07343 2/20 0.60
PDE4C Q08493 2/20 0.60
PDE4D Q08499 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
PDE2A O00408 1/20 0.60
PDE6D O43924 1/20 0.60
USP2 O75604 1/20 0.60
PDE9A O76083 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
PDE6A P16499 1/20 0.60
PDE6G P18545 1/20 0.60
PDE6B P35913 1/20 0.60

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
SCHEMBL7722411 0.87 PDE5A (0.77) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL3701453 0.81 PDE5A (0.69) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7164458 0.81 GUSB (0.81) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7725988 0.81 PDE5A (0.72) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7404327 0.81 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7721797 0.80 PDE5A (0.69) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7965710 0.80 PDE5A (0.69) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL149241 0.80 PDE5A (0.72) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7722659 0.80 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7721585 0.80 PDE5A (0.71) PDE5APDE4APDE4BPDE4CPDE4D

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
EP-0349239-B1 Condensed pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE FRENCH LAB (GB) 1994-03-16 EP claimed
EP-0349239-A2 Condensed pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-03 EP claimed
JP-2056484-A None JP disclosed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
US-5977118-A 6-substituted pyrazolo[3,4-d]pyrimidin-4-ones and compositions and methods of use thereof SANOFI (FR) 1999-11-02 US disclosed
US-5656629-A CYCLIC GUANOSINE MONOPHSPHATE-PHOSPHODIESTERASE INHIBITOR; USEFUL FOR TREATING HEART FAILURE AND/OR HYPERTENSION SANOFI WINTHROP, INC. (US) 1997-08-12 US disclosed
WO-1996028448-A1 6-ARYL PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 WO disclosed
EP-0349239-B1 Condensed pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE FRENCH LAB (GB) 1994-03-16 EP disclosed
US-5075310-A PYRIMIDONE DERIVATIVES AS BRONCHODILATORS SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-12-24 US disclosed
JP-H0256484-A CONDENSED PYRIMIDINE DERIVATIVE AND ITS PRODUCTION SMITH KLINE LTD 1990-02-26 JP disclosed
EP-0349239-A2 Condensed pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-03 EP disclosed