SCHEMBL6856009

SCHEMBL6856009

CC(COc1cncc(C#C[Si](C)(C)C)c1)N(C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.46
DYRK3 O43781 3/20 0.39
PRKD3 O94806 3/20 0.39
CLK2 P49760 3/20 0.39
GSK3A P49840 3/20 0.39
PRKCD Q05655 3/20 0.39
DYRK1A Q13627 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
AKT3 Q9Y243 3/20 0.39
RPS6KA3 P51812 2/20 0.39
PRKD2 Q9BZL6 2/20 0.39
EEF2K O00418 1/20 0.39
CSNK1D P48730 1/20 0.39
STK3 Q13188 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
ERBB4 Q15303 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
ROCK2 O75116 2/20 0.37
CDK1 P06493 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
SCHEMBL7105734 0.90 AKT1 (0.58) AKT1DYRK3PRKD3CLK2GSK3A
SCHEMBL6855719 0.83 AKT1 (0.42) AKT1DYRK3PRKD3CLK2GSK3A
SCHEMBL6855851 0.80 AKT1 (0.60) AKT1DYRK3PRKD3CLK2GSK3A
SCHEMBL6855754 0.78 AKT1 (0.60) AKT1DYRK3PRKD3CLK2GSK3A
SCHEMBL6855373 0.78 AKT1 (0.64) AKT1DYRK3PRKD3CLK2GSK3A
SCHEMBL6856003 0.78 AKT1 (0.55) AKT1DYRK3PRKD3CLK2GSK3A
SCHEMBL6849636 0.75 AKT1 (0.60) AKT1DYRK3PRKD3CLK2GSK3A
SCHEMBL6857833 0.75 MGAM (0.47) CDK2
SCHEMBL6857517 0.66 AKT1 (0.70) AKT1DYRK3PRKD3CLK2GSK3A
SCHEMBL6855150 0.66 AKT1 (0.45) AKT1DYRK3PRKD3CLK2GSK3A

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 119/4885DYRK3 1493/4885PRKD3 227/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885DYRK3 1493/4885PRKD3 227/4885

“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.