SCHEMBL4935159

SCHEMBL4935159

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CCNB2 O95067 5/20 0.41
CDK1 P06493 5/20 0.41
CCNB1 P14635 5/20 0.41
CCNB3 Q8WWL7 5/20 0.41
GSK3A P49840 4/20 0.41
GSK3B P49841 4/20 0.41
CDK5 Q00535 4/20 0.41
CDK5R1 Q15078 4/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CRHBP P24387 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
SCHEMBL4940959 0.85 CCNB2 (0.46) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL14545142 0.84 CCNB2 (0.45) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL4937417 0.82 CCNB2 (0.43) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL4941364 0.81 MAPK14 (0.52) MEN1KMT2AKDM4ECYP1A2CCNB2
SCHEMBL4934478 0.77 ALDH1A1 (0.50) MEN1KMT2AKDM4ECYP1A2GSK3A
SCHEMBL4930977 0.76 TBK1 (0.57) MEN1KMT2AKDM4ECYP1A2GSK3A
SCHEMBL4939133 0.76 PTGS2 (0.49) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4938196 0.74 CCNB2 (0.44) MEN1KMT2ACYP3A4CCNB2CDK1
SCHEMBL1839112 0.74 CCNB2 (0.40) CYP3A4CCNB2CDK1CCNB1CCNB3
SCHEMBL4940819 0.74 KDM4E (0.42) KDM4ECYP1A2CYP3A4CYP2D6CCNB2

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 MEN1 3870/4885KMT2A 2034/4885KDM4E 923/4885

“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.