SCHEMBL4938591

SCHEMBL4938591

COc1ccc(-c2ccnc3[nH]c(-c4ccc(C(=O)N5CCCN(C)CC5)cc4)nc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.62
GSK3B P49841 1/20 0.62
HPGD P15428 3/20 0.53
RIPK1 Q13546 1/20 0.47
SLC6A7 Q99884 1/20 0.46
BTK Q06187 2/20 0.44
KCNH2 Q12809 1/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4029970 0.96 GSK3A (0.61) GSK3AGSK3BHPGDRIPK1SLC6A7
Hydrochloric Acid SCHEMBL4939565 0.95 GSK3A (0.60) GSK3AGSK3BHPGDRIPK1SLC6A7
SCHEMBL4937708 0.92 GSK3A (0.73) GSK3AGSK3BHPGDRIPK1SLC6A7
SCHEMBL14027888 0.87 GSK3A (0.50) GSK3AGSK3BHPGDRIPK1KMT2A
SCHEMBL14027967 0.87 GSK3A (0.50) GSK3AGSK3BHPGDRIPK1SLC6A7
SCHEMBL14027844 0.87 ABL1 (0.51) GSK3AGSK3BRIPK1BTKKCNH2
SCHEMBL4947743 0.87 GSK3A (0.50) GSK3AGSK3BHPGDRIPK1SLC6A7
Hydrochloric Acid SCHEMBL4938212 0.86 GSK3A (0.49) GSK3AGSK3BHPGDRIPK1KMT2A
SCHEMBL4941151 0.86 GSK3A (0.58) GSK3AGSK3BHPGDSLC6A7KDM4E
SCHEMBL4939535 0.86 GSK3A (0.58) GSK3AGSK3BSLC6A7KMT2ADRD3

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 GSK3A 2/4885GSK3B 1/4885HPGD 2368/4885

“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.