SCHEMBL477944

SCHEMBL477944

[O-][n+]1cc(CN2CCOCC2)ccc1-c1c(O)[nH]c2ccc(Br)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.42
CDK7 P50613 3/20 0.42
CDK1 P06493 2/20 0.42
DYRK3 O43781 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
CAMK2G Q13555 1/20 0.42
MARK2 Q7KZI7 1/20 0.42
PIM3 Q86V86 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SGK2 Q9HBY8 1/20 0.42
STK17A Q9UEE5 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
GRIN2B Q13224 2/20 0.38
PARP1 P09874 2/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL477802 0.81 DYRK3 (0.60) CDK2CDK7CDK1DYRK3GSK3B
SCHEMBL4059150 0.74 DYRK1A (0.48) CDK2CDK7CDK1DYRK3GSK3B
SCHEMBL4063370 0.73 CDK2 (0.43) CDK2CDK7CDK1DYRK3GSK3B
SCHEMBL4236113 0.73 DYRK3 (0.43) CDK2CDK7CDK1DYRK3GSK3B
SCHEMBL4064035 0.73 DYRK3 (0.43) CDK2CDK7CDK1DYRK3GSK3B
SCHEMBL4069900 0.65 CDK1 (0.74) CDK2CDK7CDK1DYRK3GSK3B
SCHEMBL477889 0.64 HRH3 (0.57) MAPTHRH3NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL4066580 0.64 CDK1 (0.72) CDK2CDK7CDK1DYRK3GSK3B
SCHEMBL27620316 0.64 HTR7 (0.36) CDK2HDAC6GAANPC1MEN1
SCHEMBL4061413 0.63 CDK1 (0.69) CDK2CDK7CDK1DYRK3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411379-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBVIE DEUTSCHLAND (DE) 2014-12-17 EP disclosed
US-8318793-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors ABBOTT GMBH & CO. KG (DE) 2012-11-27 US disclosed
EP-2411379-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Abbott GmbH & Co. KG (DE) 2012-02-01 EP disclosed
US-20110003810-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-01-06 US disclosed
WO-2010109005-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-09-30 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 (1 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-20110003810-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 CDK2 80/4885CDK7 127/4885CDK1 18/4885

“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.