SCHEMBL6853367

SCHEMBL6853367

CC(C)(C)OC(=O)N[C@H](COc1cc(C(=O)O)cc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.63
PRKD3 O94806 2/20 0.63
PRKCG P05129 2/20 0.63
CDK1 P06493 2/20 0.63
PIM1 P11309 2/20 0.63
PRKACA P17612 2/20 0.63
AKT2 P31751 2/20 0.63
KDR P35968 2/20 0.63
CLK2 P49760 2/20 0.63
GSK3A P49840 2/20 0.63
GSK3B P49841 2/20 0.63
RPS6KA3 P51812 2/20 0.63
PRKX P51817 2/20 0.63
PRKCD Q05655 2/20 0.63
MAP4K2 Q12851 2/20 0.63
DYRK1A Q13627 2/20 0.63
CLK4 Q9HAZ1 2/20 0.63
AKT3 Q9Y243 2/20 0.63
DYRK3 O43781 1/20 0.63
ROCK2 O75116 1/20 0.63

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
SCHEMBL6853370 1.00 AKT1 (0.63) AKT1PRKD3PRKCGCDK1PIM1
SCHEMBL7165216 1.00 AKT1 (0.63) AKT1PRKD3PRKCGCDK1PIM1
SCHEMBL6855516 0.91 AKT1 (0.63) AKT1PRKD3PRKCGCDK1PIM1
SCHEMBL6854809 0.91 AKT1 (0.61) AKT1PRKD3PRKCGCDK1PIM1
SCHEMBL6854812 0.91 AKT1 (0.61) AKT1PRKD3PRKCGCDK1PIM1
SCHEMBL6851191 0.90 AKT1 (0.58) AKT1PRKD3PRKCGCDK1PIM1
SCHEMBL6851187 0.90 AKT1 (0.58) AKT1PRKD3PRKCGCDK1PIM1
SCHEMBL6853666 0.85 AKT1 (0.68) AKT1PRKD3PRKCGCDK1PIM1
SCHEMBL6853663 0.85 AKT1 (0.68) AKT1PRKD3PRKCGCDK1PIM1
SCHEMBL6853347 0.85 AKT1 (0.69) AKT1PRKD3PRKCGCDK1PIM1

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 5 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
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 119/4885PRKD3 227/4885PRKCG 152/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885PRKD3 227/4885PRKCG 152/4885

“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.