SCHEMBL4937481

SCHEMBL4937481

Nc1nccc(-c2cccc(CN3CCOCC3)c2)c1N

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.54
PIK3CD O00329 5/20 0.52
NCF1 P14598 1/20 0.52
LRRK2 Q5S007 3/20 0.51
PSMB8 P28062 1/20 0.49
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
PDE4B Q07343 3/20 0.47
PLK4 O00444 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
NOS1 P29475 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL264964 0.80 USP7 (0.58) USP7PIK3CDNCF1LRRK2PSMB8
SCHEMBL12346384 0.77 PSMB8 (0.48) USP7PIK3CDNCF1LRRK2PSMB8
SCHEMBL1717834 0.77 NEK1 (0.53) NCF1LRRK2PSMB8CNR1CNR2
SCHEMBL26686378 0.74 JAK2 (0.49) USP7PIK3CDNCF1LRRK2PSMB8
SCHEMBL1690875 0.74 ALDH1A1 (0.66) NCF1PSMB8CNR1CNR2DRD2
SCHEMBL14988278 0.74 NCF1 (0.53) USP7PIK3CDNCF1LRRK2PSMB8
SCHEMBL16054137 0.74 NCF1 (0.60) USP7NCF1LRRK2PSMB8CNR1
SCHEMBL4937468 0.74 HPGD (0.56) PIK3CDLRRK2PLK4KDM4EHPGD
SCHEMBL31240352 0.74 TBK1 (0.61)
SCHEMBL11196105 0.73 NCF1 (0.83) NCF1PSMB8NOS1KDM4EALDH1A1

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 9 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
CN-101321753-A 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) 2008-12-10 CN 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
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 USP7 3874/4885PIK3CD 639/4885NCF1 3481/4885

“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.