SCHEMBL4037435

SCHEMBL4037435

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.52
PDE4B Q07343 13/20 0.52
PDE4C Q08493 13/20 0.52
PDE4D Q08499 13/20 0.52
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 4/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
RAB9A P51151 4/20 0.37
MAPT P10636 2/20 0.37
CYP2D6 P10635 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 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
SCHEMBL4040769 0.85 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4040029 0.84 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4041242 0.83 PDE4A (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL4040537 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL5844235 0.81 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6181304 0.79 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4025781 0.78 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4027089 0.78 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4037954 0.77 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL13848952 0.77 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.