SCHEMBL2318486

SCHEMBL2318486

COC(=O)c1ccc(OC)c2[nH]c(C3CC3)nc12

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.65
PDE4B Q07343 4/20 0.65
PDE4C Q08493 4/20 0.65
PDE4D Q08499 4/20 0.65
PBK Q96KB5 11/20 0.46
PARP1 P09874 1/20 0.43
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
NPY5R Q15761 1/20 0.41
HTR2C P28335 1/20 0.41
GSK3B P49841 1/20 0.40

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
SCHEMBL1581014 0.95 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPBK
SCHEMBL1553709 0.90 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPBK
SCHEMBL1581071 0.88 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPBK
SCHEMBL13495268 0.86 PBK (0.62) PDE4APDE4BPDE4CPDE4DPBK
SCHEMBL1554161 0.85 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPBK
SCHEMBL2458459 0.84 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPBK
SCHEMBL2332188 0.82 PBK (0.52) PDE4APDE4BPDE4CPDE4DPBK
SCHEMBL1581359 0.81 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPBK
SCHEMBL1552957 0.81 PDE4D (0.54) PDE4APDE4BPDE4CPDE4DPBK
SCHEMBL1581399 0.80 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPBK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301146-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES ONCOTHERAPY SCIENCE, INC. (JP) 2011-12-08 US disclosed
US-20110301146-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES ONCOTHERAPY SCIENCE, INC. (JP) 2011-12-08 US disclosed
US-20110301146-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES ONCOTHERAPY SCIENCE, INC. (JP) 2011-12-08 US disclosed
US-20110263566-A1 7-Hydroxy-benzoimidazole-4-yl-methanone Derivatives and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-27 US disclosed
US-20110263566-A1 7-Hydroxy-benzoimidazole-4-yl-methanone Derivatives and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-27 US disclosed
US-20110263566-A1 7-Hydroxy-benzoimidazole-4-yl-methanone Derivatives and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-27 US disclosed
EP-2364087-A1 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME Oncotherapy Science, Inc. (JP) 2011-09-14 EP disclosed
EP-2358365-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES Oncotherapy Science, Inc. (JP) 2011-08-24 EP disclosed
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-08-04 US disclosed
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-08-04 US disclosed
WO-2010058512-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES ONCOTHERAPY SCIENCE, INC. (JP) 2010-05-27 WO disclosed
WO-2010058512-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES ONCOTHERAPY SCIENCE, INC. (JP) 2010-05-27 WO disclosed
WO-2010051085-A1 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2010-05-06 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 (3 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-20110263566-A1 7-Hydroxy-benzoimidazole-4-yl-methanone Derivatives and PBK Inhibitors Containing the Same PDXK, BCKDK, SBK1 PDE4A 2934/4885PDE4B 2687/4885PDE4C 3631/4885
US-20110301146-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES GSK3B, GSK3A, GYS2 PDE4A 1578/4885PDE4B 1718/4885PDE4C 2252/4885
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same GSK3B, GSK3A, GYS2 PDE4A 1462/4885PDE4B 1840/4885PDE4C 2018/4885

“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.