SCHEMBL6857804

SCHEMBL6857804

CC(C)(C)OC(=O)NC(COc1cncc(-c2ccc(F)c(C#N)c2)c1)Cc1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.55
PIM1 P11309 3/20 0.55
GSK3A P49840 3/20 0.55
RPS6KA3 P51812 3/20 0.55
LIMK1 P53667 3/20 0.55
PRKCD Q05655 3/20 0.55
ROCK1 Q13464 3/20 0.55
DYRK1A Q13627 3/20 0.55
PRKD2 Q9BZL6 3/20 0.55
ROCK2 O75116 2/20 0.55
RPS6KB1 P23443 2/20 0.55
AKT2 P31751 2/20 0.55
GSK3B P49841 2/20 0.55
AKT3 Q9Y243 2/20 0.55
DYRK3 O43781 1/20 0.55
PRKD3 O94806 1/20 0.55
PRKCG P05129 1/20 0.55
LCK P06239 1/20 0.55
CDK1 P06493 1/20 0.55
PRKACA P17612 1/20 0.55

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
SCHEMBL6857801 1.00 AKT1 (0.55) AKT1PIM1GSK3ARPS6KA3LIMK1
SCHEMBL6850425 0.86 AKT1 (0.68) AKT1PIM1GSK3ARPS6KA3LIMK1
SCHEMBL6850433 0.86 AKT1 (0.68) AKT1PIM1GSK3ARPS6KA3LIMK1
SCHEMBL6858072 0.84 HDAC3 (0.63) AKT1PIM1GSK3ARPS6KA3LIMK1
SCHEMBL6858075 0.84 HDAC3 (0.63) AKT1PIM1GSK3ARPS6KA3LIMK1
SCHEMBL6855367 0.84 HDAC3 (0.60) AKT1PIM1GSK3ARPS6KA3LIMK1
SCHEMBL6855362 0.84 HDAC3 (0.60) AKT1PIM1GSK3ARPS6KA3LIMK1
SCHEMBL6855460 0.83 AKT1 (0.58) AKT1PIM1GSK3ARPS6KA3LIMK1
SCHEMBL6855453 0.83 AKT1 (0.58) AKT1PIM1GSK3ARPS6KA3LIMK1
SCHEMBL6853495 0.83 AKT1 (0.68) AKT1PIM1GSK3ARPS6KA3LIMK1

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 119/4885PIM1 389/4885GSK3A 427/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885PIM1 389/4885GSK3A 427/4885

“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.