SCHEMBL4930977

SCHEMBL4930977

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CHEK2 O96017 2/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ GSK3A P49840 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ CHEK1 O14757 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ IKBKE Q14164 2/20 0.44

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
SCHEMBL4934478 0.92 ALDH1A1 (0.50) TBK1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL4940706 0.90 KDM4E (0.48) TBK1KDM4EALDH1A1MEN1GLA
SCHEMBL4933913 0.88 RAB9A (0.47) TBK1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL4937764 0.87 TBK1 (0.47) TBK1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL4941364 0.87 MAPK14 (0.52) KDM4EALDH1A1MEN1CYP1A2GLA
SCHEMBL4937708 0.83 GSK3A (0.73) ALDH1A1HPGDGSK3AGSK3BPARP1
SCHEMBL4160756 0.83 PARP1 (0.50) TBK1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL4029970 0.82 GSK3A (0.61) KDM4EALDH1A1MEN1CYP1A2GLA
SCHEMBL4940819 0.82 KDM4E (0.42) TBK1KDM4EALDH1A1CYP1A2GAA
Hydrochloric Acid SCHEMBL4939565 0.82 GSK3A (0.60) KDM4EALDH1A1MEN1CYP1A2GLA

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 7 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
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
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 TBK1 167/4885KDM4E 923/4885ALDH1A1 3443/4885

“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.

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