SCHEMBL1411025

SCHEMBL1411025

CCOc1cc2c(cc1OC)C(c1cnc(SC)nc1)=N[C@@H]1CC[C@@H](OC(=O)CCC(=O)C(=O)O[C@@H]3CC[C@H]4N=C(c5cnc(SC)nc5)c5cc(OC)c(OCC)cc5[C@H]4C3)C[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
KDM4E B2RXH2 1/20 0.31
ABCB1 P08183 1/20 0.30

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
SCHEMBL1411194 0.92 PDE4B (0.46) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1411617 0.92 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1410240 0.90 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1410831 0.89 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1411639 0.89 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1411031 0.88 PDE4B (0.46) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1411865 0.88 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1411675 0.87 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1411493 0.86 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL1410704 0.86 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKDM4E

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
US-20080194587-A1 phosphodiesterase inhibitor; drug for respiratory system disorders NYCOMED GMBH (DE) 2008-08-14 US claimed
US-8829189-B2 Salts of 6-heterocycle substituted hexahydrophenanthridine derivatives TAKEDA GMBH (DE) 2014-09-09 US disclosed
US-8754218-B2 Salts of 6-heterocycle substituted hexahydrophenanthridine derivatives TAKEDA GMBH (DE) 2014-06-17 US disclosed
EP-2295423-B1 Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives TAKEDA GMBH (DE) 2013-10-02 EP disclosed
EP-2189454-B1 Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives TAKEDA GMBH (DE) 2013-09-25 EP disclosed
US-20130096152-A1 NOVEL SALTS OF 6-HETEROCYCLE SUBSTITUTED HEXAHYDROPHENANTHRIDINE DERIVATIVES NYCOMED GMBH (DE) 2013-04-18 US disclosed
US-8354535-B2 Salts of 6-heterocycle substituted hexahydrophenanthridine derivatives NYCOMED GMBH (DE) 2013-01-15 US disclosed
EP-2295423-A1 Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives Nycomed GmbH (DE) 2011-03-16 EP disclosed
US-20100190818-A1 Novel salts of 6-heterocycle substituted hexahydrophenanthridine derivatives NYCOMED GMBH (DE) 2010-07-29 US disclosed
EP-2189454-A1 Novel salts of 6-heterocyclyl substituted hexahydrophenanthridine derivatives Nycomed GmbH (DE) 2010-05-26 EP disclosed
US-20080194587-A1 phosphodiesterase inhibitor; drug for respiratory system disorders NYCOMED GMBH (DE) 2008-08-14 US disclosed