SCHEMBL4167281

SCHEMBL4167281

COc1cc(OC)cc(C(=CC#N)c2ccc3c(c2)OCCN3C)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.54
PDE4B Q07343 19/20 0.54
PDE4C Q08493 19/20 0.54
PDE4D Q08499 19/20 0.54

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
SCHEMBL13949116 1.00 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL4163890 0.83 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL8270542 0.82 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL4821406 0.82 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL4818588 0.82 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL4166372 0.80 CTNNB1 (0.44)
SCHEMBL4824626 0.80 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL4824632 0.80 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL4816849 0.77 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL4816854 0.77 PDE4A (0.63) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042875-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE CORPORATION 2009-02-12 US disclosed
US-20090042875-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE CORPORATION 2009-02-12 US disclosed
US-7468446-B2 Substituted heterocyclic compounds and uses thereof CELGENE CORPORATION (US) 2008-12-23 US disclosed
US-7468446-B2 Substituted heterocyclic compounds and uses thereof CELGENE CORPORATION (US) 2008-12-23 US disclosed
CN-101052630-A Substituted heterocyclic compounds and uses thereof CELGENE CORP (US) 2007-10-10 CN disclosed
US-20060052596-A1 Substituted heterocyclic compounds and uses thereof CELGENE CORPORATION 2006-03-09 US 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 (2 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-20060052596-A1 Substituted heterocyclic compounds and uses thereof NQO1, LTC4S, VHL PDE4A 1046/4885PDE4B 798/4885PDE4C 767/4885
US-20090042875-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF NQO1, LTC4S, VHL PDE4A 1046/4885PDE4B 798/4885PDE4C 767/4885

“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.