SCHEMBL4044390

SCHEMBL4044390

CC(C)(C#N)c1cc(-c2cccc(CN(CC(=O)O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.78
PDE4B Q07343 18/20 0.78
PDE4C Q08493 18/20 0.78
PDE4D Q08499 18/20 0.78
CYP2C9 P11712 11/20 0.52

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
SCHEMBL4043959 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4044064 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4039925 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4038772 0.84 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4040502 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4039198 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL13849071 0.81 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4039795 0.80 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4037063 0.80 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4042539 0.79 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
US-7144896-B2 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-12-05 US disclosed
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-11-03 US disclosed
EP-1487797-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-12-22 EP disclosed
WO-2003078397-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.