Sugi Predict

Sugi Predict / Compounds / SCHEMBL6857902

SCHEMBL6857902

SCHEMBL6857902

N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1cnc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 19/20 1.00
▸ DAPK3 O43293 2/20 0.61
▸ PRKD3 O94806 2/20 0.61
▸ MAP4K4 O95819 2/20 0.61
▸ PIM1 P11309 2/20 0.61
▸ GSK3A P49840 2/20 0.61
▸ GSK3B P49841 2/20 0.61
▸ RPS6KA3 P51812 2/20 0.61
▸ PRKX P51817 2/20 0.61
▸ CDK5 Q00535 2/20 0.61
▸ MAP4K2 Q12851 2/20 0.61
▸ PRKAA1 Q13131 2/20 0.61
▸ PKN2 Q16513 2/20 0.61
▸ MAP4K5 Q9Y4K4 2/20 0.61
▸ PRKCG P05129 2/20 0.61
▸ CDK1 P06493 2/20 0.61
▸ PRKACA P17612 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ AKT2 P31751 2/20 0.61
▸ CSNK2A1 P68400 2/20 0.61

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
SCHEMBL6854975 0.88 AKT1 (1.00) AKT1DAPK3PRKD3MAP4K4PIM1
SCHEMBL6855836 0.88 AKT1 (1.00) AKT1DAPK3PRKD3MAP4K4PIM1
SCHEMBL6854875 0.85 AKT1 (1.00) AKT1DAPK3PRKD3MAP4K4PIM1
SCHEMBL6856032 0.83 AKT1 (0.80) AKT1DAPK3PRKD3MAP4K4PIM1
SCHEMBL6849751 0.82 AKT1 (0.84) AKT1DAPK3PRKD3MAP4K4PIM1
SCHEMBL6857859 0.82 AKT1 (0.84) AKT1DAPK3PRKD3MAP4K4PIM1
SCHEMBL6855420 0.81 AKT1 (0.69) AKT1DAPK3PRKD3MAP4K4PIM1
SCHEMBL6857602 0.80 AKT1 (0.74) AKT1DAPK3PRKD3MAP4K4PIM1
SCHEMBL6833526 0.80 AKT1 (0.79) AKT1DAPK3PRKD3MAP4K4PIM1
SCHEMBL6854915 0.80 AKT1 (0.68) AKT1DAPK3PRKD3MAP4K4PIM1

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 119/4885DAPK3 318/4885PRKD3 227/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885DAPK3 318/4885PRKD3 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.