SCHEMBL7019731

SCHEMBL7019731

Cc1cc2c(NCc3ccc4c(c3)OCO4)nc(N3CCC(C(=O)O)CC3)nc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.70
PDE4B Q07343 2/20 0.70
PDE4C Q08493 2/20 0.70
PDE4D Q08499 2/20 0.70
PDE5A O76074 3/20 0.60
PDE2A O00408 1/20 0.60
PDE1A P54750 1/20 0.60
PDE1B Q01064 1/20 0.60
PDE1C Q14123 1/20 0.60
KDM4E B2RXH2 6/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.45
CTNNB1 P35222 3/20 0.45
TCF7L2 Q9NQB0 3/20 0.45
HPGD P15428 4/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL8179753 0.95 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8182179 0.92 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8181016 0.91 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8178312 0.90 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8183503 0.90 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7013552 0.90 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8184612 0.88 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8177575 0.87 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8177034 0.86 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8183463 0.86 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP claimed
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US claimed
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed