SCHEMBL2128792

SCHEMBL2128792

CCOC(=O)c1ccc(-c2c(O)[nH]c3ccc(C#N)cc23)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 2/20 0.52
CDK2 P24941 2/20 0.52
GSK3B P49841 2/20 0.52
CDK5 Q00535 2/20 0.52
PIM3 Q86V86 2/20 0.52
MINK1 Q8N4C8 2/20 0.52
PRKD2 Q9BZL6 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
SGK2 Q9HBY8 2/20 0.52
STK17A Q9UEE5 2/20 0.52
CDK1 P06493 1/20 0.52
CDK7 P50613 1/20 0.52
CAMK2G Q13555 1/20 0.52
MARK2 Q7KZI7 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
GABRA1 P14867 4/20 0.44
GABRG2 P18507 4/20 0.44
GABRB3 P28472 4/20 0.44
GABRA5 P31644 4/20 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
SCHEMBL3192165 0.92 ALK (0.43) DYRK3CDK2GSK3BCDK5PIM3
SCHEMBL2130483 0.84 CDK5 (0.55) DYRK3CDK2GSK3BCDK5PIM3
SCHEMBL2600368 0.82 HCRTR1 (0.44) DYRK3CDK2GSK3BCDK5PIM3
SCHEMBL941764 0.81 CDK1 (0.48) DYRK3CDK2GSK3BCDK5PIM3
SCHEMBL4060329 0.81 CCNE1 (0.46) CDK2GSK3BCDK5CDK1HCRTR1
SCHEMBL4059965 0.79 CDK1 (0.49) DYRK3CDK2GSK3BCDK5PIM3
Hydrochloric Acid SCHEMBL27601574 0.79 DYRK3 (0.47) DYRK3CDK2GSK3BCDK5PIM3
Hydrochloric Acid SCHEMBL4060348 0.79 CDK1 (0.49) DYRK3CDK2GSK3BCDK5PIM3
SCHEMBL4026378 0.77 CDK1 (0.54) DYRK3CDK2GSK3BCDK5PIM3
SCHEMBL477974 0.77 DYRK3 (0.58) DYRK3CDK2GSK3BCDK5PIM3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP claimed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP claimed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO claimed
US-20120101132-A1 New Substituted Oxindole Derivative CLAESSON MARTINA (SE) 2012-04-26 US disclosed
US-20120101132-A1 New Substituted Oxindole Derivative CLAESSON MARTINA (SE) 2012-04-26 US disclosed
US-20090291982-A1 New Substituted Oxindole Derivative 352 ASTRAZENECA AB (SE) 2009-11-26 US disclosed
US-20090291982-A1 New Substituted Oxindole Derivative 352 ASTRAZENECA AB (SE) 2009-11-26 US disclosed
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 US disclosed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP disclosed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 US disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US disclosed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 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 (4 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-20090291982-A1 New Substituted Oxindole Derivative 352 PYGL, GSK3A, GSK3B DYRK3 279/4885CDK2 281/4885GSK3B 3/4885
US-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 DYRK3 4809/4885CDK2 245/4885GSK3B 1261/4885
US-20120101132-A1 New Substituted Oxindole Derivative PYGL, GSK3A, GSK3B DYRK3 426/4885CDK2 377/4885GSK3B 3/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 DYRK3 4783/4885CDK2 655/4885GSK3B 1078/4885

“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.