SCHEMBL6855475

SCHEMBL6855475

CCc1cncc2sc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.75
AKT2 P31751 5/20 0.75
AKT3 Q9Y243 5/20 0.75
ROCK2 O75116 4/20 0.75
PIM1 P11309 4/20 0.75
RPS6KB1 P23443 4/20 0.75
GSK3A P49840 4/20 0.75
GSK3B P49841 4/20 0.75
RPS6KA3 P51812 4/20 0.75
PRKCD Q05655 4/20 0.75
ROCK1 Q13464 4/20 0.75
DYRK1A Q13627 4/20 0.75
PRKD2 Q9BZL6 4/20 0.75
PRKCG P05129 4/20 0.75
PRKACA P17612 4/20 0.75
LIMK1 P53667 3/20 0.75
CDK1 P06493 3/20 0.75
MAPK1 P28482 3/20 0.75
CDK2 P24941 3/20 0.75
CSNK1D P48730 3/20 0.75

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
SCHEMBL6855399 0.89 AKT1 (0.76) AKT1AKT2AKT3ROCK2PIM1
SCHEMBL6849736 0.88 AKT1 (0.75) AKT1AKT2AKT3ROCK2PIM1
SCHEMBL6855996 0.87 AKT1 (0.73) AKT1AKT2AKT3ROCK2PIM1
SCHEMBL6854455 0.87 AKT1 (0.70) AKT1AKT2AKT3ROCK2PIM1
SCHEMBL6855023 0.87 AKT1 (0.72) AKT1AKT2AKT3ROCK2PIM1
SCHEMBL6857572 0.85 AKT1 (1.00) AKT1AKT2AKT3ROCK2PIM1
SCHEMBL14030169 0.80 AKT1 (0.76) AKT1AKT2AKT3ROCK2PIM1
SCHEMBL14030034 0.80 AKT1 (0.76) AKT1AKT2AKT3ROCK2PIM1
SCHEMBL6854855 0.79 AKT1 (1.00) AKT1AKT2AKT3ROCK2PIM1
SCHEMBL6854848 0.79 AKT1 (1.00) AKT1AKT2AKT3ROCK2PIM1

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 6 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 claimed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US claimed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US claimed
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 119/4885AKT2 151/4885AKT3 156/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885AKT2 151/4885AKT3 156/4885

“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.