SCHEMBL4933065

SCHEMBL4933065

COC(=O)c1ccc(-c2nc3c(I)ccnc3n2COCC[Si](C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
DRD2 P14416 1/20 0.37
TBXA2R P21731 1/20 0.37
NPC1 O15118 3/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 5/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ATM Q13315 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
PDE4B Q07343 1/20 0.34
BRD4 O60885 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
SCHEMBL4934504 0.78 CTSL (0.39) DRD2TBXA2RNPC1PDE4BMEN1
SCHEMBL4938519 0.78 DGAT1 (0.40) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL4937712 0.76 PRKD1 (0.39) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7836831 0.73 MAPT (0.41) MAPTADORA2AADORA2BNPC1GAA
SCHEMBL27203909 0.73 SLC2A1 (0.37) MAPTNPC1GAAALDH1A1KDM4E
SCHEMBL29854729 0.73 SLC2A1 (0.37) MAPTNPC1GAAALDH1A1KDM4E
SCHEMBL16497611 0.71 RAF1 (0.48) MAPTDRD2TBXA2RNPC1GAA
SCHEMBL25297452 0.70 DGAT1 (0.57) MAPTADORA2AADORA2BDRD2TBXA2R
SCHEMBL25249329 0.69 ALDH1A1 (0.39) MAPTNPC1ALDH1A1KDM4EHPGD
SCHEMBL4931068 0.69 PDE4B (0.35) NPC1PDE4B

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 5 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
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 MAPT 30/4885ADORA2A 2951/4885ADORA2B 2904/4885

“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.