SCHEMBL4938205

SCHEMBL4938205

COCCCOc1cccc(-c2ccnc3c2nc(-c2ccc(C(=O)N4CCN(C)CC4)cc2)n3COCC[Si](C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
ABL1 P00519 5/20 0.39
BCR P11274 5/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
TLR7 Q9NYK1 2/20 0.36
GHSR Q92847 1/20 0.36
KCNH2 Q12809 1/20 0.36
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
RIPK1 Q13546 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
BDKRB1 P46663 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL4936885 0.95 NPC1 (0.41) NPC1ABL1BCRDRD2DRD3
SCHEMBL4937180 0.94 NPC1 (0.40) NPC1ABL1BCRDRD2DRD3
SCHEMBL4939332 0.92 AVPR1A (0.40) NPC1ABL1BCRDRD2DRD3
SCHEMBL4936182 0.91 NPC1 (0.38) NPC1ABL1BCRDRD2DRD3
SCHEMBL14027866 0.90 AVPR2 (0.44) NPC1ABL1BCRAVPR2AVPR1A
SCHEMBL14027879 0.90 ABL1 (0.38) NPC1ABL1BCRDRD2DRD3
SCHEMBL4936238 0.88 MKNK1 (0.46) NPC1ABL1BCRTLR7AVPR2
SCHEMBL14027870 0.86 TLR7 (0.38) NPC1ABL1BCRTLR7AVPR2
SCHEMBL4937452 0.83 NPC1 (0.39) NPC1ABL1BCRDRD2DRD3
SCHEMBL14027862 0.83 PRKD1 (0.45) ABL1BCRAVPR2AVPR1ARIPK1

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
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
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 NPC1 2895/4885ABL1 793/4885BCR 3820/4885

“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.