SCHEMBL6855754

SCHEMBL6855754

CC(COc1cncc(-c2ccc3cnccc3c2)c1)N(C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.60
AKT3 Q9Y243 4/20 0.60
CDK1 P06493 4/20 0.60
PRKACA P17612 4/20 0.60
PRKCG P05129 3/20 0.60
AKT2 P31751 3/20 0.60
PRKD3 O94806 3/20 0.60
CLK2 P49760 3/20 0.60
GSK3A P49840 3/20 0.60
RPS6KA3 P51812 3/20 0.60
PRKCD Q05655 3/20 0.60
DYRK1A Q13627 3/20 0.60
CLK4 Q9HAZ1 3/20 0.60
PIM1 P11309 2/20 0.60
KDR P35968 2/20 0.60
GSK3B P49841 2/20 0.60
PRKX P51817 2/20 0.60
MAP4K2 Q12851 2/20 0.60
DYRK3 O43781 2/20 0.60
PRKD2 Q9BZL6 2/20 0.60

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
SCHEMBL6849636 0.84 AKT1 (0.60) AKT1AKT3CDK1PRKACAPRKCG
SCHEMBL7105734 0.81 AKT1 (0.58) AKT1AKT3CDK1PRKACAPRKCG
SCHEMBL6855851 0.81 AKT1 (0.60) AKT1AKT3CDK1PRKACAPRKCG
SCHEMBL6855719 0.80 AKT1 (0.42) AKT1AKT3CDK1PRKACAPRKCG
SCHEMBL6855373 0.79 AKT1 (0.64) AKT1AKT3CDK1PRKACAAKT2
SCHEMBL6856009 0.78 AKT1 (0.46) AKT1AKT3CDK1PRKACAPRKCG
Trifluoroacetic Acid SCHEMBL6855410 0.77 AKT1 (0.60) AKT1AKT3CDK1PRKACAPRKCG
SCHEMBL6855745 0.77 AKT1 (0.80) AKT1AKT3CDK1PRKACAPRKCG
SCHEMBL6855429 0.77 AKT1 (0.69) AKT1AKT3CDK1PRKACAPRKCG
SCHEMBL6853301 0.76 AKT1 (0.76) AKT1AKT3CDK1PRKACAPRKCG

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 119/4885AKT3 156/4885CDK1 29/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885AKT3 156/4885CDK1 29/4885

“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.