SCHEMBL4061228

SCHEMBL4061228

CN(C)CCNC(=O)c1ccnc(-c2c(O)[nH]c3ccc(C#N)cc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.47
TLR9 Q9NR96 2/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
DYRK3 O43781 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
CDK7 P50613 1/20 0.41
CDK5 Q00535 1/20 0.41
CAMK2G Q13555 1/20 0.41
MARK2 Q7KZI7 1/20 0.41
PIM3 Q86V86 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
SGK2 Q9HBY8 1/20 0.41
STK17A Q9UEE5 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL3182312 0.81 FGFR1 (0.51) CDK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4059910 0.75 CDK1 (0.48) CDK1DYRK3CDK2GSK3BCDK7
SCHEMBL4067883 0.75 CDK1 (0.47) CDK1TLR9TLR8TLR7DYRK3
SCHEMBL4059965 0.75 CDK1 (0.49) CDK1TLR9TLR8TLR7DYRK3
Hydrochloric Acid SCHEMBL4061389 0.74 CDK1 (0.47) CDK1TLR9TLR8TLR7DYRK3
Hydrochloric Acid SCHEMBL4060348 0.74 CDK1 (0.49) CDK1TLR9TLR8TLR7DYRK3
Hydrochloric Acid SCHEMBL3192446 0.73 TRPA1 (0.53) CDK1DYRK3CDK2GSK3BCDK7
SCHEMBL3182369 0.73 FLT3 (0.49) CDK1DYRK3CDK2GSK3BCDK7
Fumaric Acid SCHEMBL4058486 0.72 CDK1 (0.44) CDK1DYRK3CDK2GSK3BCDK7
Fumaric Acid SCHEMBL4058491 0.72 CDK1 (0.44) CDK1DYRK3CDK2GSK3BCDK7

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
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN 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
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
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 (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 CDK1 263/4885TLR9 4779/4885TLR8 4476/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 CDK1 649/4885TLR9 4532/4885TLR8 4329/4885

“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.