SCHEMBL6855076

SCHEMBL6855076

Cc1n[nH]c2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)ccc3CO)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.52
ROCK1 Q13464 10/20 0.52
CDK2 P24941 4/20 0.52
CDK7 P50613 3/20 0.52
CSNK1A1 P48729 3/20 0.52
CSNK1D P48730 3/20 0.52
DAPK3 O43293 2/20 0.52
RPS6KA5 O75582 2/20 0.52
RPS6KA4 O75676 2/20 0.52
PRKD3 O94806 2/20 0.52
MAP4K4 O95819 2/20 0.52
PAK4 O96013 2/20 0.52
CHEK2 O96017 2/20 0.52
PRKCG P05129 2/20 0.52
PIM1 P11309 2/20 0.52
PHKG2 P15735 2/20 0.52
PRKACA P17612 2/20 0.52
RPS6KB1 P23443 2/20 0.52
MAPK1 P28482 2/20 0.52
AKT2 P31751 2/20 0.52

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
SCHEMBL6855078 1.00 AKT1 (0.52) AKT1ROCK1CDK2CDK7CSNK1A1
SCHEMBL4658666 0.85 AKT1 (0.62) AKT1ROCK1CDK2CDK7CSNK1A1
SCHEMBL6853431 0.84 AKT1 (0.63) AKT1ROCK1CDK2CDK7CSNK1A1
SCHEMBL4660669 0.83 AKT1 (0.71) AKT1ROCK1CDK2CDK7CSNK1A1
SCHEMBL4658643 0.83 AKT1 (0.75) AKT1ROCK1CDK2CDK7CSNK1A1
SCHEMBL6857938 0.83 AKT1 (0.60) AKT1ROCK1CDK2CDK7CSNK1A1
SCHEMBL29388655 0.82 AKT1 (0.75) AKT1ROCK1CDK2CDK7CSNK1A1
SCHEMBL29367228 0.82 AKT1 (0.75) AKT1ROCK1CDK2CDK7CSNK1A1
SCHEMBL2191613 0.82 AKT1 (0.75) AKT1ROCK1CDK2CDK7CSNK1A1
SCHEMBL29386101 0.82 AKT1 (0.75) AKT1ROCK1CDK2CDK7CSNK1A1

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 8 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
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP 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
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO 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 119/4885ROCK1 446/4885CDK2 28/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885ROCK1 446/4885CDK2 28/4885

“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.