Sugi Predict

Sugi Predict / Compounds / SCHEMBL6830516

SCHEMBL6830516

SCHEMBL6830516

Cc1nn(C(=O)OC(C)(C)C)c2ccc(-c3cncc(OC[C@H](CO)NC(=O)OC(C)(C)C)c3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 7/20 0.38
▸ AKT1 P31749 7/20 0.33
▸ CDK7 P50613 4/20 0.33
▸ CDK2 P24941 4/20 0.33
▸ CLK2 P49760 3/20 0.33
▸ DYRK1A Q13627 3/20 0.33
▸ PRKD3 O94806 3/20 0.33
▸ PRKCG P05129 3/20 0.33
▸ PIM1 P11309 3/20 0.33
▸ PRKACA P17612 3/20 0.33
▸ RPS6KB1 P23443 3/20 0.33
▸ AKT2 P31751 3/20 0.33
▸ FLT3 P36888 3/20 0.33
▸ GSK3A P49840 3/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ RPS6KA3 P51812 3/20 0.33
▸ PRKX P51817 3/20 0.33
▸ PRKCD Q05655 3/20 0.33
▸ MAP4K2 Q12851 3/20 0.33
▸ ROCK1 Q13464 3/20 0.33

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
SCHEMBL6830518 1.00 AAK1 (0.38) AAK1AKT1CDK7CDK2CLK2
SCHEMBL6833590 0.88 PPARA (0.39) AAK1AKT1CDK7CDK2CLK2
SCHEMBL6833591 0.88 PPARA (0.39) AAK1AKT1CDK7CDK2CLK2
SCHEMBL6857951 0.87 GSK3B (0.39) AAK1AKT1DYRK1AGSK3BJAK2
SCHEMBL6855712 0.87 MAPT (0.38) AAK1AKT1CDK7CDK2CLK2
SCHEMBL6854803 0.85 AKT1 (0.48) AKT1CDK7CDK2PRKD3PRKCG
SCHEMBL6854800 0.85 AKT1 (0.48) AKT1CDK7CDK2PRKD3PRKCG
SCHEMBL4659872 0.84 AKT1 (0.38) AAK1AKT1ROCK1HDAC3HDAC4
SCHEMBL5471035 0.84 AKT1 (0.38) AAK1AKT1ROCK1HDAC3HDAC4
SCHEMBL6854636 0.84 AKT1 (0.44) AKT1CDK7CDK2CLK2DYRK1A

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 AAK1 149/4885AKT1 119/4885CDK7 66/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AAK1 149/4885AKT1 119/4885CDK7 66/4885

“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.