SCHEMBL4062352

SCHEMBL4062352

N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCC4)cn3)c2c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 3/20 0.83
CDK1 P06493 2/20 0.83
CDK2 P24941 2/20 0.83
DYRK3 O43781 1/20 0.83
GSK3B P49841 1/20 0.83
CDK5 Q00535 1/20 0.83
CAMK2G Q13555 1/20 0.83
MARK2 Q7KZI7 1/20 0.83
PIM3 Q86V86 1/20 0.83
MINK1 Q8N4C8 1/20 0.83
PRKD2 Q9BZL6 1/20 0.83
CLK4 Q9HAZ1 1/20 0.83
SGK2 Q9HBY8 1/20 0.83
STK17A Q9UEE5 1/20 0.83
CAMK2A Q9UQM7 1/20 0.83
DYRK1B Q9Y463 1/20 0.83
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CHEK1 O14757 5/20 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
SCHEMBL4016405 0.98 CDK7 (0.83) CDK7CDK1CDK2DYRK3GSK3B
SCHEMBL4019774 0.97 CDK7 (0.82) CDK7CDK1CDK2DYRK3GSK3B
Hydrochloric Acid SCHEMBL4066905 0.97 CDK7 (0.82) CDK7CDK1CDK2DYRK3GSK3B
SCHEMBL4059706 0.93 CDK7 (0.74) CDK7CDK1CDK2DYRK3GSK3B
Hydrochloric Acid SCHEMBL4066949 0.93 CDK7 (0.73) CDK7CDK1CDK2DYRK3GSK3B
SCHEMBL4019427 0.91 CDK7 (0.79) CDK7CDK1CDK2DYRK3GSK3B
Azd-1080 SCHEMBL29374248 0.91 CDK7 (1.00) CDK7CDK1CDK2DYRK3GSK3B
Azd-1080 SCHEMBL30298327 0.91 CDK7 (1.00) CDK7CDK1CDK2DYRK3GSK3B
Azd-1080 SCHEMBL29361806 0.91 CDK7 (1.00) CDK7CDK1CDK2DYRK3GSK3B
Azd-1080 SCHEMBL394519 0.91 CDK7 (1.00) CDK7CDK1CDK2DYRK3GSK3B

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 21 patents — showing the first 20. 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
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 US 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
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
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 CDK7 444/4885CDK1 263/4885CDK2 245/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 CDK7 1005/4885CDK1 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.