SCHEMBL6857951

SCHEMBL6857951

Cc1nn(C(=O)OC(C)(C)C)c2ccc(-c3cncc(OCC(CN4CCOCC4)NC(=O)OC(C)(C)C)c3)cc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.39
DYRK1A Q13627 2/20 0.39
AKT1 P31749 2/20 0.37
BRD4 O60885 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
PDE2A O00408 6/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
AVPR1B P47901 1/20 0.34
JAK2 O60674 1/20 0.34
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL6830518 0.87 AAK1 (0.38) GSK3BDYRK1AAKT1AAK1JAK2
SCHEMBL6830516 0.87 AAK1 (0.38) GSK3BDYRK1AAKT1AAK1JAK2
SCHEMBL6855712 0.84 MAPT (0.38) GSK3BDYRK1AAKT1AAK1HTT
SCHEMBL6833591 0.82 PPARA (0.39) GSK3BDYRK1AAKT1AAK1JAK2
SCHEMBL6833590 0.82 PPARA (0.39) GSK3BDYRK1AAKT1AAK1JAK2
SCHEMBL6854800 0.79 AKT1 (0.48) GSK3BAKT1JAK2
SCHEMBL6854803 0.79 AKT1 (0.48) GSK3BAKT1JAK2
SCHEMBL6854636 0.78 AKT1 (0.44) GSK3BDYRK1AAKT1
SCHEMBL6854641 0.78 AKT1 (0.44) GSK3BDYRK1AAKT1
SCHEMBL7172167 0.78 AKT1 (0.44) GSK3BDYRK1AAKT1

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 GSK3B 442/4885DYRK1A 1054/4885AKT1 119/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 GSK3B 442/4885DYRK1A 1054/4885AKT1 119/4885

“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.