SCHEMBL4040029

SCHEMBL4040029

CSc1ccc(C(=O)NCc2cccc(-c3cc(C(C)C)cc4cccnc34)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.51
PDE4B Q07343 10/20 0.51
PDE4C Q08493 10/20 0.51
PDE4D Q08499 10/20 0.51
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PSMD14 O00487 3/20 0.42
STAMBP O95630 2/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
COPS5 Q92905 2/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
CFD P00746 1/20 0.41
DYRK1B Q9Y463 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL4040767 0.87 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4037435 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL5844234 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPSMD14
SCHEMBL6181304 0.81 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4041242 0.79 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL4040537 0.77 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4025781 0.76 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6182554 0.76 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCFD
SCHEMBL5779532 0.76 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL13848952 0.76 PDE4A (0.47) 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.