SCHEMBL6182808

SCHEMBL6182808

CC(C)(O)C(Cc1cccc(-c2cc(Cc3ccncc3)cc3cccnc23)c1)c1ccncc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.78
PDE4B Q07343 16/20 0.78
PDE4C Q08493 15/20 0.78
PDE4D Q08499 15/20 0.78
CYP2C9 P11712 11/20 0.59
PDE5A O76074 1/20 0.45

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
SCHEMBL6198966 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6180235 0.80 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4038039 0.80 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4038041 0.78 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL13849048 0.78 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6607042 0.77 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6182594 0.77 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4042427 0.75 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7437896 0.74 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4038802 0.74 PDE4A (0.69) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919353-B2 Substituted 8-arylquinolune PDE4 inhibitors MERCK FROSST CANADA & CO. (CA) 2005-07-19 US disclosed
EP-1404330-B1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC (CA) 2005-06-01 EP disclosed
US-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2004-08-19 US disclosed
EP-1404330-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-04-07 EP disclosed
WO-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 WO disclosed
WO-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 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-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors PDE12, PDE4A, PDE4B PDE4A 2/4885PDE4B 3/4885PDE4C 5/4885

“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.