SCHEMBL7006637

SCHEMBL7006637

CC(C)Cn1c(=O)n(C)c(=O)c2cc(Cc3nccs3)sc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 7/20 0.40
PDE1B Q01064 7/20 0.40
PDE1C Q14123 7/20 0.40
PDE2A O00408 4/20 0.40
PARG Q86W56 2/20 0.38
SLC16A1 P53985 6/20 0.38
CYP3A4 P08684 4/20 0.38
CFTR P13569 2/20 0.38
PDE5A O76074 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
PDE4A P27815 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA1 P30542 1/20 0.38
SCN1A P35498 1/20 0.38
PDE6C P51160 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38

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
SCHEMBL7010765 0.80 SLC16A1 (0.38) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL7011267 0.80 PDE1B (0.39) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL7006986 0.80 SLC16A1 (0.43) PDE1APDE1BPDE1CPDE2APARG
SCHEMBL7008995 0.79 PDE1A (0.41) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL5864831 0.78 SLC16A1 (0.58) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL7014557 0.78 PDE1A (0.42) PDE1APDE1BPDE1CPDE2APARG
SCHEMBL5864669 0.77 PDE1B (0.47) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL6808474 0.77 MAPK1 (0.49) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL7008583 0.77 TBXAS1 (0.42) PDE1APDE1BPDE1CPDE2APARG
SCHEMBL7007286 0.76 PDE1B (0.38) PDE1APDE1BPDE1CPDE2APARG

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-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP claimed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US claimed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP claimed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO claimed
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP disclosed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO disclosed