SCHEMBL6180752

SCHEMBL6180752

CC(C)c1cc(-c2cccc(C(Cc3ccncc3)c3ccc(Cl)cc3)c2)c2ncccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 1.00
PDE4B Q07343 13/20 1.00
PDE4C Q08493 12/20 1.00
PDE4D Q08499 12/20 1.00
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6604913 0.91 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6184825 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6179829 0.88 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL6180387 0.87 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL6606859 0.85 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6181570 0.81 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL6180068 0.81 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL8365127 0.79 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6604159 0.79 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6185438 0.78 PDE4A (0.68) 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.