SCHEMBL6855642

SCHEMBL6855642

N[C@H](COc1cnc(Nc2cccnc2)c(-c2cc3ccccc3s2)c1)Cc1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.65
PRKCG P05129 4/20 0.60
CDK1 P06493 4/20 0.60
PRKACA P17612 4/20 0.60
MAPK1 P28482 4/20 0.60
AKT2 P31751 4/20 0.60
AKT3 Q9Y243 4/20 0.60
PLK4 O00444 2/20 0.60
MAPK13 O15264 2/20 0.60
PDPK1 O15530 2/20 0.60
DAPK3 O43293 2/20 0.60
ROCK2 O75116 2/20 0.60
CHEK2 O96017 2/20 0.60
PIM1 P11309 2/20 0.60
RPS6KB1 P23443 2/20 0.60
CDK2 P24941 2/20 0.60
MARK3 P27448 2/20 0.60
FLT4 P35916 2/20 0.60
KDR P35968 2/20 0.60
FLT3 P36888 2/20 0.60

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
SCHEMBL6855648 1.00 AKT1 (0.65) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6855296 0.93 AKT1 (0.58) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6855300 0.93 AKT1 (0.58) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6855369 0.84 AKT1 (0.63) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6854564 0.82 AKT1 (0.60) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6853159 0.81 AKT1 (0.60) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6854922 0.80 AKT1 (0.66) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6857705 0.80 AKT1 (0.75) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6855283 0.79 AKT1 (0.58) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6853466 0.78 AKT1 (0.68) AKT1PRKCGCDK1PRKACAMAPK1

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 AKT1 119/4885PRKCG 152/4885CDK1 29/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885PRKCG 152/4885CDK1 29/4885

“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.