SCHEMBL4041660

SCHEMBL4041660

CC(C)(C#N)c1cc(-c2cccc(C=O)c2)c2ncccc2c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.57
PDE4B Q07343 12/20 0.57
PDE4C Q08493 12/20 0.57
PDE4D Q08499 12/20 0.57
CYP2C9 P11712 8/20 0.48

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
SCHEMBL4025824 0.82 CYP2C9 (0.71) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL13849047 0.81 CYP2C9 (0.48) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5257428 0.81 CYP2C9 (0.75) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4027814 0.80 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4031519 0.80 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6181324 0.80 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCYP2C9
Alcohol SCHEMBL4026942 0.78 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4031650 0.78 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4031647 0.78 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4026795 0.77 PDE4A (0.80) 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.