SCHEMBL6854511

SCHEMBL6854511

N[C@H](COc1cncc(-c2ccc3c(c2)C(=Cc2c[nH]c4ccccc24)C(=O)N3)c1)Cc1c[nH]c2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.82
PRKACA P17612 5/20 0.81
AKT3 Q9Y243 4/20 0.81
PDPK1 O15530 3/20 0.81
DYRK3 O43781 3/20 0.81
ROCK2 O75116 3/20 0.81
RPS6KA5 O75582 3/20 0.81
PRKD3 O94806 3/20 0.81
MAP4K4 O95819 3/20 0.81
PRKCG P05129 3/20 0.81
CDK1 P06493 3/20 0.81
PHKG2 P15735 3/20 0.81
CDK2 P24941 3/20 0.81
MARK3 P27448 3/20 0.81
MAPK1 P28482 3/20 0.81
AXL P30530 3/20 0.81
FLT4 P35916 3/20 0.81
FLT3 P36888 3/20 0.81
MAPKAPK2 P49137 3/20 0.81
GSK3A P49840 3/20 0.81

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
SCHEMBL6854515 1.00 CHEK1 (0.82) CHEK1PRKACAAKT3PDPK1DYRK3
SCHEMBL30035858 1.00 CHEK1 (0.82) CHEK1PRKACAAKT3PDPK1DYRK3
SCHEMBL6854506 1.00 CHEK1 (0.82) CHEK1PRKACAAKT3PDPK1DYRK3
SCHEMBL6925977 0.92 CHEK1 (0.82) CHEK1PRKACAAKT3PDPK1DYRK3
SCHEMBL6849875 0.92 CHEK1 (0.82) CHEK1PRKACAAKT3PDPK1DYRK3
SCHEMBL6849880 0.92 CHEK1 (0.82) CHEK1PRKACAAKT3PDPK1DYRK3
SCHEMBL6849881 0.92 CHEK1 (0.82) CHEK1PRKACAAKT3PDPK1DYRK3
SCHEMBL6855951 0.90 CHEK1 (0.79) CHEK1PRKACAAKT3PDPK1DYRK3
SCHEMBL6855956 0.90 CHEK1 (0.79) CHEK1PRKACAAKT3PDPK1DYRK3
SCHEMBL6855108 0.90 CHEK1 (1.00) CHEK1PRKACAAKT3PDPK1DYRK3

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 CHEK1 53/4885PRKACA 27/4885AKT3 156/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CHEK1 53/4885PRKACA 27/4885AKT3 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.