SCHEMBL4064035

SCHEMBL4064035

[O-][n+]1cc(CN2CCOCC2)ccc1-c1c(O)[nH]c2ccc(-c3cccs3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.43
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
CDK7 P50613 1/20 0.43
CDK5 Q00535 1/20 0.43
CAMK2G Q13555 1/20 0.43
MARK2 Q7KZI7 1/20 0.43
PIM3 Q86V86 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
SGK2 Q9HBY8 1/20 0.43
STK17A Q9UEE5 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 2/20 0.37

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
SCHEMBL4236113 0.85 DYRK3 (0.43) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4063370 0.84 CDK2 (0.43) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4059150 0.82 DYRK1A (0.48) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4062113 0.82 CDK7 (0.65) DYRK3CDK1CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL4057934 0.81 CDK7 (0.64) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL477944 0.73 CDK2 (0.42) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL21462386 0.70 HRH3 (0.65) RAB9ANPC1TP53SMN1; SMN2TSHR
SCHEMBL21462427 0.67 DRD2 (0.55) RAB9ANPC1TP53SMN1; SMN2PRKDC
SCHEMBL4059941 0.65 GSK3B (0.66) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4066507 0.65 CDK7 (0.66) DYRK3CDK1CDK2GSK3BCDK7

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 12 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-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 (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 DYRK3 4809/4885CDK1 263/4885CDK2 245/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 DYRK3 4783/4885CDK1 649/4885CDK2 655/4885

“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.