SCHEMBL4702803

SCHEMBL4702803

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(C(F)(F)F)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 1.00
PDE4A P27815 19/20 1.00
PDE4B Q07343 19/20 1.00
PDE4C Q08493 19/20 1.00
PDE11A Q9HCR9 1/20 1.00

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
SCHEMBL29993300 1.00 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL432865 0.89 PDE4A (0.80) PDE4DPDE4APDE4BPDE4CPDE11A
Sch-351591 SCHEMBL157018 0.89 PDE4A (0.80) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL8290205 0.89 PDE4A (0.80) PDE4DPDE4APDE4BPDE4CPDE11A
Sch-351591 SCHEMBL29378661 0.89 PDE4A (0.80) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL432864 0.87 PDE4A (0.77) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL4698780 0.85 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL28348654 0.84 PDE4A (0.72) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL13035036 0.83 PDE4B (0.71) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL4698349 0.83 PDE4D (0.77) PDE4DPDE4APDE4BPDE4CPDE11A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP claimed
EP-0952832-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS Darwin Discovery Limited (GB) 1999-11-03 EP claimed
WO-1997044036-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO claimed
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP disclosed
EP-1664024-B1 SYNTHESIS OF QUINOLINE 5-CARBOXAMIDES USEFUL FOR THE PREPARATION OF PDE IV INHIBITORS SCHERING CORP (US) 2007-07-11 EP disclosed
CN-1625411-A Combination of a NSAID and a PDE-4 inhibitor ALTANA PHARMA AG (DE) 2005-06-08 CN disclosed