SCHEMBL6854701

SCHEMBL6854701

CC(C)(C)OC(=O)NC(CO)COc1cncc(-c2ccc3cnccc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.50
GSK3B P49841 4/20 0.50
DYRK1A Q13627 4/20 0.50
PRKD3 O94806 3/20 0.50
CDK1 P06493 3/20 0.50
PIM1 P11309 3/20 0.50
PRKACA P17612 3/20 0.50
CLK2 P49760 3/20 0.50
RPS6KA3 P51812 3/20 0.50
PRKX P51817 3/20 0.50
PRKCD Q05655 3/20 0.50
MAP4K2 Q12851 3/20 0.50
CLK4 Q9HAZ1 3/20 0.50
DYRK3 O43781 2/20 0.50
ROCK2 O75116 2/20 0.50
RPS6KB1 P23443 2/20 0.50
CDK2 P24941 2/20 0.50
ROCK1 Q13464 2/20 0.50
CDC42BPA Q5VT25 2/20 0.50
HIPK4 Q8NE63 2/20 0.50

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
SCHEMBL6854693 1.00 AKT1 (0.50) AKT1GSK3BDYRK1APRKD3CDK1
SCHEMBL6853191 0.90 AKT1 (0.54) AKT1GSK3BDYRK1APRKD3CDK1
SCHEMBL6853195 0.90 AKT1 (0.54) AKT1GSK3BDYRK1APRKD3CDK1
SCHEMBL6854880 0.86 AKT1 (0.54) AKT1GSK3BDYRK1APRKD3CDK1
SCHEMBL6854874 0.86 AKT1 (0.54) AKT1GSK3BDYRK1APRKD3CDK1
SCHEMBL31584143 0.78 CTSB (0.46) AKT1ROCK2ROCK1
SCHEMBL6854987 0.78 AAK1 (0.47) AAK1
SCHEMBL6855122 0.78 AAK1 (0.47) AAK1
SCHEMBL14005204 0.78 AAK1 (0.40) AAK1
SCHEMBL6830518 0.77 AAK1 (0.38) AKT1GSK3BDYRK1APRKD3CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885GSK3B 442/4885DYRK1A 1054/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885GSK3B 442/4885DYRK1A 1054/4885

“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.