SCHEMBL4059941

SCHEMBL4059941

Oc1[nH]c2ccc(-c3cccnc3)cc2c1-c1ccc(CN2CCOCC2)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.66
CLK4 Q9HAZ1 2/20 0.66
DYRK3 O43781 1/20 0.66
CDK1 P06493 1/20 0.66
CDK2 P24941 1/20 0.66
CDK7 P50613 1/20 0.66
CDK5 Q00535 1/20 0.66
CAMK2G Q13555 1/20 0.66
MARK2 Q7KZI7 1/20 0.66
PIM3 Q86V86 1/20 0.66
MINK1 Q8N4C8 1/20 0.66
PRKD2 Q9BZL6 1/20 0.66
SGK2 Q9HBY8 1/20 0.66
STK17A Q9UEE5 1/20 0.66
CAMK2A Q9UQM7 1/20 0.66
DYRK1B Q9Y463 1/20 0.66
DYRK1A Q13627 6/20 0.47
WNT1 P04628 4/20 0.47
ACHE P22303 3/20 0.46
CHEK1 O14757 2/20 0.46

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
SCHEMBL4066507 0.84 CDK7 (0.66) GSK3BCLK4DYRK3CDK1CDK2
SCHEMBL4059150 0.84 DYRK1A (0.48) GSK3BCLK4DYRK3CDK1CDK2
Hydrochloric Acid SCHEMBL4057681 0.83 CDK7 (0.65) GSK3BCLK4DYRK3CDK1CDK2
SCHEMBL4062113 0.83 CDK7 (0.65) GSK3BCLK4DYRK3CDK1CDK2
Hydrochloric Acid SCHEMBL4057934 0.82 CDK7 (0.64) GSK3BCLK4DYRK3CDK1CDK2
SCHEMBL10079716 0.82 CDK7 (0.74) GSK3BCLK4DYRK3CDK1CDK2
SCHEMBL4069900 0.82 CDK1 (0.74) GSK3BCLK4DYRK3CDK1CDK2
SCHEMBL477994 0.81 DYRK3 (0.64) GSK3BCLK4DYRK3CDK1CDK2
SCHEMBL4558231 0.81 CDK2 (0.70) GSK3BCLK4DYRK3CDK1CDK2
Hydrochloric Acid SCHEMBL4066580 0.81 CDK1 (0.72) GSK3BCLK4DYRK3CDK1CDK2

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 15 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
CN-100519550-C 2-oxoindole compounds having inhibitory activity on glycogen synthase kinase 3 receptor ASTRAZENECA AB SE (SE) 2009-07-29 CN 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-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 US claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US claimed
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
CN-100519550-C 2-oxoindole compounds having inhibitory activity on glycogen synthase kinase 3 receptor ASTRAZENECA AB SE (SE) 2009-07-29 CN 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
CN-1923812-A New compounds ASTRAZENECA AB (SE) 2007-03-07 CN disclosed
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US 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 (2 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-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 GSK3B 1261/4885CLK4 4245/4885DYRK3 4809/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 GSK3B 1078/4885CLK4 4296/4885DYRK3 4783/4885

“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.