SCHEMBL4939582

SCHEMBL4939582

COc1cccc(-c2ccnc(Cl)c2[N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ CASP3 P42574 2/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ PIN1 Q13526 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ TGFBR1 P36897 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40

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
SCHEMBL4937390 0.85 RAB9A (0.46) RAB9ANPC1CASP3SENP7DYRK1A
SCHEMBL4932114 0.84 KMT2A (0.43) RAB9ADYRK1ACLK4MAPTMEN1
SCHEMBL1839553 0.79 ALDH1A1 (0.44) RAB9ADYRK1ACLK4PIN1MEN1
SCHEMBL4937863 0.78 MAOB (0.47) RAB9ANPC1CASP3SENP7CLK4
SCHEMBL3645334 0.77 GSTP1 (0.42) RAB9APIN1MAPTMEN1KMT2A
SCHEMBL18474450 0.77 RAB9A (0.46) RAB9ANPC1CASP3SENP7DYRK1A
SCHEMBL18438030 0.76 RAB9A (0.49) RAB9ANPC1CASP3SENP7RECQL
SCHEMBL8792107 0.74 DYRK1A (0.46) RAB9ANPC1CASP3SENP7DYRK1A
SCHEMBL2241680 0.73 MEN1 (0.54) RAB9ANPC1CASP3SENP7PIN1
SCHEMBL29958897 0.73 MEN1 (0.54) RAB9ANPC1CASP3SENP7PIN1

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 3 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 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 RAB9A 2521/4885NPC1 2895/4885CASP3 1230/4885

“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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