SCHEMBL6833591

SCHEMBL6833591

Cc1nn(C(=O)OC(C)(C)C)c2ccc(-c3cncc(OC[C@H](COCc4ccccc4)NC(=O)OC(C)(C)C)c3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.39
CTSS P25774 1/20 0.38
AKT1 P31749 7/20 0.37
CDK2 P24941 5/20 0.37
DAPK3 O43293 3/20 0.37
PAK4 O96013 3/20 0.37
CHEK2 O96017 3/20 0.37
PRKCG P05129 3/20 0.37
PIM1 P11309 3/20 0.37
PRKACA P17612 3/20 0.37
RPS6KB1 P23443 3/20 0.37
MAPK1 P28482 3/20 0.37
AKT2 P31751 3/20 0.37
FLT3 P36888 3/20 0.37
CSNK1D P48730 3/20 0.37
MAPKAPK2 P49137 3/20 0.37
GSK3A P49840 3/20 0.37
GSK3B P49841 3/20 0.37
PRKCD Q05655 3/20 0.37
STK3 Q13188 3/20 0.37

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
SCHEMBL6833590 1.00 PPARA (0.39) PPARACTSSAKT1CDK2DAPK3
SCHEMBL6830516 0.88 AAK1 (0.38) AKT1CDK2DAPK3PAK4CHEK2
SCHEMBL6830518 0.88 AAK1 (0.38) AKT1CDK2DAPK3PAK4CHEK2
SCHEMBL6849856 0.85 ATM (0.42) CTSSKLK5ATM
SCHEMBL6849858 0.85 ATM (0.42) CTSSKLK5ATM
SCHEMBL6855712 0.84 MAPT (0.38) AKT1CDK2DAPK3PAK4CHEK2
SCHEMBL6854803 0.84 AKT1 (0.48) AKT1CDK2DAPK3PAK4CHEK2
SCHEMBL6854800 0.84 AKT1 (0.48) AKT1CDK2DAPK3PAK4CHEK2
SCHEMBL6857951 0.82 GSK3B (0.39) AKT1GSK3BJAK2AAK1DYRK1A
SCHEMBL6854874 0.80 AKT1 (0.54) PPARACTSSAKT1CDK2DAPK3

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 5 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 disclosed
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 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
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 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 PPARA 4758/4885CTSS 3443/4885AKT1 119/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 PPARA 4758/4885CTSS 3443/4885AKT1 119/4885

“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.