SCHEMBL6833776

SCHEMBL6833776

N[C@@H](CCc1ccccc1)C(=O)Nc1cncc(C=Cc2ccncc2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.80
ROCK2 O75116 8/20 0.66
ROCK1 Q13464 6/20 0.66
PIM1 P11309 4/20 0.66
PRKACA P17612 4/20 0.66
GSK3A P49840 4/20 0.66
PRKCD Q05655 4/20 0.66
DYRK1A Q13627 4/20 0.66
CDC42BPA Q5VT25 4/20 0.66
RPS6KA3 P51812 2/20 0.66
FGFR3 P22607 1/20 0.66
LIMK1 P53667 1/20 0.66
RPS6KB1 P23443 3/20 0.60
GSK3B P49841 3/20 0.60
CHUK O15111 2/20 0.60
AKT2 P31751 2/20 0.60
CSNK1D P48730 2/20 0.60
RPS6KA5 O75582 2/20 0.60
CLK2 P49760 2/20 0.60
PRKX P51817 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
SCHEMBL6833772 1.00 AKT1 (0.80) AKT1ROCK2ROCK1PIM1PRKACA
Hydrochloric Acid SCHEMBL7069058 0.88 AKT1 (0.98) AKT1ROCK2ROCK1PIM1PRKACA
Hydrochloric Acid SCHEMBL6833647 0.88 AKT1 (0.98) AKT1ROCK2ROCK1PIM1PRKACA
Hydrochloric Acid SCHEMBL6833648 0.88 AKT1 (0.98) AKT1ROCK2ROCK1PIM1PRKACA
SCHEMBL6853310 0.85 AKT1 (0.65) AKT1ROCK2ROCK1PIM1PRKACA
SCHEMBL6853302 0.85 AKT1 (0.65) AKT1ROCK2ROCK1PIM1PRKACA
SCHEMBL6853308 0.85 AKT1 (0.65) AKT1ROCK2ROCK1PIM1PRKACA
Hydrochloric Acid SCHEMBL6853378 0.79 AKT1 (0.98) AKT1ROCK2ROCK1PIM1PRKACA
SCHEMBL27744399 0.77 AAK1 (0.61) AKT1ROCK2ROCK1
SCHEMBL4533616 0.77 AAK1 (0.61) AKT1ROCK2ROCK1

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 10 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
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 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
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 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 119/4885ROCK2 581/4885ROCK1 446/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885ROCK2 581/4885ROCK1 446/4885

“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.