SCHEMBL6853460

SCHEMBL6853460

N[C@@H](COc1cncc(-c2ccc3c(c2)C(=Cc2cccnc2)C(=O)N3)c1)Cc1c[nH]c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.78
PRKACA P17612 4/20 0.77
PRKD3 O94806 3/20 0.77
MAP4K4 O95819 3/20 0.77
PRKCG P05129 3/20 0.77
CDK1 P06493 3/20 0.77
MAPK1 P28482 3/20 0.77
GSK3A P49840 3/20 0.77
GSK3B P49841 3/20 0.77
PRKX P51817 3/20 0.77
CDK5 Q00535 3/20 0.77
PRKCD Q05655 3/20 0.77
PRKAA1 Q13131 3/20 0.77
DYRK1A Q13627 3/20 0.77
PKN2 Q16513 3/20 0.77
AKT3 Q9Y243 3/20 0.77
PDPK1 O15530 2/20 0.77
DYRK3 O43781 2/20 0.77
ROCK2 O75116 2/20 0.77
RPS6KA5 O75582 2/20 0.77

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
SCHEMBL6853456 1.00 CHEK1 (0.78) CHEK1PRKACAPRKD3MAP4K4PRKCG
SCHEMBL6853458 1.00 CHEK1 (0.78) CHEK1PRKACAPRKD3MAP4K4PRKCG
SCHEMBL6849881 0.94 CHEK1 (0.82) CHEK1PRKACAPRKD3MAP4K4PRKCG
SCHEMBL6849875 0.94 CHEK1 (0.82) CHEK1PRKACAPRKD3MAP4K4PRKCG
SCHEMBL6849880 0.94 CHEK1 (0.82) CHEK1PRKACAPRKD3MAP4K4PRKCG
SCHEMBL6925977 0.94 CHEK1 (0.82) CHEK1PRKACAPRKD3MAP4K4PRKCG
SCHEMBL6857674 0.90 CHEK1 (0.80) CHEK1PRKACAPRKD3MAP4K4PRKCG
SCHEMBL7069636 0.90 CHEK1 (0.80) CHEK1PRKACAPRKD3MAP4K4PRKCG
SCHEMBL6857672 0.90 CHEK1 (0.80) CHEK1PRKACAPRKD3MAP4K4PRKCG
SCHEMBL6857670 0.90 CHEK1 (0.80) CHEK1PRKACAPRKD3MAP4K4PRKCG

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 CHEK1 53/4885PRKACA 27/4885PRKD3 227/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CHEK1 53/4885PRKACA 27/4885PRKD3 227/4885

“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.