SCHEMBL6179946

SCHEMBL6179946

C=Cc1cccc(-c2cc(C(C)C)cc3cccnc23)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.57
PDE4B Q07343 15/20 0.57
PDE4C Q08493 15/20 0.57
PDE4D Q08499 15/20 0.57
PTGS2 P35354 1/20 0.40
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4039783 0.88 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6989316 0.83 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5257490 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7448426 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL4039851 0.81 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4037497 0.81 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL4026130 0.79 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4040537 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4025781 0.78 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7442565 0.78 PDE4D (0.52) PDE4APDE4BPDE4CPDE4D

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
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

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.