SCHEMBL4038802

SCHEMBL4038802

Nc1cccc(-c2cc(Cc3ccncc3)cc3cccnc23)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.69
PDE4B Q07343 10/20 0.69
PDE4C Q08493 9/20 0.69
PDE4D Q08499 9/20 0.69
CYP17A1 P05093 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP19A1 P11511 2/20 0.57
CYP11B1 P15538 2/20 0.57
CYP11B2 P19099 2/20 0.57
MAP4K4 O95819 2/20 0.50
PLK4 O00444 1/20 0.45
EGFR P00533 1/20 0.45
ROS1 P08922 1/20 0.45
PIM1 P11309 1/20 0.45
AXL P30530 1/20 0.45
FLT3 P36888 1/20 0.45
FRK P42685 1/20 0.45
MAP4K2 Q12851 1/20 0.45
NTRK3 Q16288 1/20 0.45
MINK1 Q8N4C8 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
SCHEMBL7437896 0.85 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4038039 0.84 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL13849048 0.84 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4038041 0.84 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL14402844 0.83 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4041704 0.82 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DCYP17A1
SCHEMBL4042427 0.81 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL3698956 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL29367114 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL7436085 0.77 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCYP17A1

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-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
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.