SCHEMBL477816

SCHEMBL477816

CCOC(=O)N1C[C@@H]2CCN(Cc3ccc(-c4c(O)[nH]c5ccc(C#N)cc45)[n+]([O-])c3)[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
CDK7 P50613 1/20 0.37
CDK5 Q00535 1/20 0.37
CAMK2G Q13555 1/20 0.37
MARK2 Q7KZI7 1/20 0.37
PIM3 Q86V86 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
SGK2 Q9HBY8 1/20 0.37
STK17A Q9UEE5 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
CSF1R P07333 1/20 0.32
KIT P10721 1/20 0.32
FLT3 P36888 1/20 0.32
CHRM1 P11229 3/20 0.31

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
SCHEMBL944012 0.75 CDK7 (0.58) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL478005 0.74 TEAD1 (0.42) CHRM1MEN1KMT2AMAPTLMNA
SCHEMBL6356905 0.67 ALDH1A1 (0.53) CHRM1MEN1KMT2AMAPTCYP1A2
SCHEMBL3201190 0.66 ALK (0.42) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL477829 0.65 DYRK3 (0.63) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL14052075 0.65 DYRK3 (0.63) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL12868017 0.61 LMNA (0.59) HRH2HRH1MEN1KMT2ACYP1A2
SCHEMBL8120850 0.60 HTR1A (0.49) KDM1A
SCHEMBL9343895 0.60 GAA (0.45) CHRM1MAPTTDP1TSHR
SCHEMBL2128792 0.59 DYRK3 (0.52) 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 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 DYRK3 538/4885CDK1 18/4885CDK2 80/4885

“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.