SCHEMBL6842659

SCHEMBL6842659

CCOc1cc(C2=NN(Cc3ccc(NC(=O)c4ccc[nH]4)cc3)C(=O)SC2CC)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.41
PDE4A P27815 12/20 0.41
PDE4B Q07343 12/20 0.41
PDE4C Q08493 12/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.38
CFTR P13569 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
SCN9A Q15858 1/20 0.36
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL6844111 0.97 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL6654188 0.95 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CGAA
SCHEMBL6656236 0.94 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CGAA
SCHEMBL6658351 0.92 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CGAA
SCHEMBL6657058 0.91 GAA (0.39) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL6842605 0.91 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CGAA
SCHEMBL6659590 0.91 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CGAA
SCHEMBL6660948 0.90 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL6654949 0.89 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL6655053 0.89 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B PDE4D 12/4885PDE4A 1/4885PDE4B 4/4885

“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.