Sugi Predict

Sugi Predict / Compounds / SCHEMBL6854915

SCHEMBL6854915

SCHEMBL6854915

N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)COc1ccc2cccnc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 19/20 0.68
▸ CDK1 P06493 3/20 0.58
▸ PRKACA P17612 3/20 0.58
▸ PRKD3 O94806 2/20 0.58
▸ MAP4K4 O95819 2/20 0.58
▸ PIM1 P11309 2/20 0.58
▸ CLK2 P49760 2/20 0.58
▸ GSK3B P49841 2/20 0.58
▸ RPS6KA3 P51812 2/20 0.58
▸ PRKX P51817 2/20 0.58
▸ CDK5 Q00535 2/20 0.58
▸ MAP4K2 Q12851 2/20 0.58
▸ DYRK1A Q13627 2/20 0.58
▸ PKN2 Q16513 2/20 0.58
▸ CLK4 Q9HAZ1 2/20 0.58
▸ PRKCD Q05655 2/20 0.58
▸ PRKCG P05129 2/20 0.58
▸ SRC P12931 2/20 0.58
▸ CSNK2A2 P19784 2/20 0.58
▸ PRKACG P22612 2/20 0.58

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
SCHEMBL6856032 0.89 AKT1 (0.80) AKT1CDK1PRKACAPRKD3MAP4K4
SCHEMBL6857602 0.88 AKT1 (0.74) AKT1CDK1PRKACAPRKD3MAP4K4
SCHEMBL6833891 0.82 AKT1 (0.68) AKT1CDK1PRKACAPRKD3MAP4K4
SCHEMBL6833889 0.82 AKT1 (0.68) AKT1CDK1PRKACAPRKD3MAP4K4
SCHEMBL6854975 0.81 AKT1 (1.00) AKT1CDK1PRKACAPRKD3MAP4K4
SCHEMBL6855836 0.81 AKT1 (1.00) AKT1CDK1PRKACAPRKD3MAP4K4
SCHEMBL6854875 0.80 AKT1 (1.00) AKT1CDK1PRKACAPRKD3MAP4K4
SCHEMBL6857701 0.80 AKT1 (0.79) AKT1CDK1PRKACAPRKD3MAP4K4
SCHEMBL6857902 0.80 AKT1 (1.00) AKT1CDK1PRKACAPRKD3MAP4K4
SCHEMBL6857847 0.78 AKT1 (1.00) AKT1CDK1PRKACAPRKD3MAP4K4

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 AKT1 119/4885CDK1 29/4885PRKACA 27/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885CDK1 29/4885PRKACA 27/4885

“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.