SCHEMBL4940959

SCHEMBL4940959

COc1ccc(-c2ccnc3[nH]c(-c4ccc(C)nc4)nc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 8/20 0.46
CDK1 P06493 8/20 0.46
CCNB1 P14635 8/20 0.46
CCNB3 Q8WWL7 8/20 0.46
GSK3A P49840 8/20 0.46
GSK3B P49841 8/20 0.46
CDK5 Q00535 6/20 0.46
CDK5R1 Q15078 6/20 0.46
AURKA O14965 1/20 0.42
RIPK1 Q13546 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ZAP70 P43403 1/20 0.40
PTK2B Q14289 1/20 0.40
DYRK1A Q13627 1/20 0.40
TNKS O95271 1/20 0.39
PARP1 P09874 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
SCHEMBL14545142 0.87 CCNB2 (0.45) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4937417 0.85 CCNB2 (0.43) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4935159 0.85 MEN1 (0.41) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4941364 0.84 MAPK14 (0.52) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4934478 0.80 ALDH1A1 (0.50) GSK3AGSK3BNPC1PKMRAB9A
SCHEMBL4930977 0.79 TBK1 (0.57) GSK3AGSK3BNPC1RAB9APARP1
SCHEMBL4939133 0.79 PTGS2 (0.49) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL21101968 0.78 PARP1 (0.54) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4938196 0.77 CCNB2 (0.44) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4940819 0.77 KDM4E (0.42) CCNB2CDK1CCNB1CCNB3GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255085-A1 Novel Imidazo [4,5-b] Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase 3 for Use in the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US claimed
EP-1937680-A2 NOVEL IMIDAZO [4,5 -B] PYRIDINE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR USE IN THE TREATMENT OF DEMENTIA AND NEURODEGENERATIVE DISORDERS AstraZeneca AB (SE) 2008-07-02 EP claimed
WO-2007040438-A2 NOVEL IMIDAZO [4,5 -B] PYRIDINE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR USE IN THE TREATMENT OF DEMENTIA AND NEURODEGENERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-04-12 WO claimed
US-20080255085-A1 Novel Imidazo [4,5-b] Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase 3 for Use in the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255085-A1 Novel Imidazo [4,5-b] Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase 3 for Use in the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255085-A1 Novel Imidazo [4,5-b] Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase 3 for Use in the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US disclosed
EP-1937680-A2 NOVEL IMIDAZO [4,5 -B] PYRIDINE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR USE IN THE TREATMENT OF DEMENTIA AND NEURODEGENERATIVE DISORDERS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007040438-A2 NOVEL IMIDAZO [4,5 -B] PYRIDINE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR USE IN THE TREATMENT OF DEMENTIA AND NEURODEGENERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-04-12 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-20080255085-A1 Novel Imidazo [4,5-b] Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase 3 for Use in the Treatment of Dementia and Neurodegenerative Disorders GSK3B, GSK3A, PYGB CCNB2 1437/4885CDK1 42/4885CCNB1 652/4885

“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.