SCHEMBL6849798

SCHEMBL6849798

Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4cc(Cl)cc(Cl)c4)c3)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.76
CDK2 P24941 5/20 0.65
DAPK3 O43293 4/20 0.65
RPS6KA5 O75582 4/20 0.65
PRKD3 O94806 4/20 0.65
PAK4 O96013 4/20 0.65
CHEK2 O96017 4/20 0.65
PRKCG P05129 4/20 0.65
PIM1 P11309 4/20 0.65
PHKG2 P15735 4/20 0.65
RPS6KB1 P23443 4/20 0.65
MAPK1 P28482 4/20 0.65
AKT2 P31751 4/20 0.65
FLT3 P36888 4/20 0.65
CSNK1A1 P48729 4/20 0.65
CSNK1D P48730 4/20 0.65
MAPKAPK2 P49137 4/20 0.65
GSK3A P49840 4/20 0.65
GSK3B P49841 4/20 0.65
IRAK1 P51617 4/20 0.65

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
SCHEMBL6854814 0.94 AKT1 (0.68) AKT1CDK2DAPK3RPS6KA5PRKD3
SCHEMBL6849780 0.92 AKT1 (0.76) AKT1CDK2DAPK3RPS6KA5PRKD3
SCHEMBL6855432 0.92 AKT1 (0.76) AKT1CDK2DAPK3RPS6KA5PRKD3
SCHEMBL6857565 0.92 AKT1 (0.77) AKT1CDK2DAPK3RPS6KA5PRKD3
SCHEMBL6853530 0.90 AKT1 (0.62) AKT1CDK2DAPK3RPS6KA5PRKD3
SCHEMBL6855207 0.89 AKT1 (0.77) AKT1CDK2DAPK3RPS6KA5PRKD3
SCHEMBL6857831 0.89 AKT1 (0.66) AKT1CDK2DAPK3RPS6KA5PRKD3
SCHEMBL6849796 0.89 AKT1 (0.65) AKT1CDK2DAPK3RPS6KA5PRKD3
SCHEMBL7168788 0.88 AKT1 (0.75) AKT1CDK2DAPK3RPS6KA5PRKD3
SCHEMBL6835405 0.88 AKT1 (0.65) AKT1CDK2DAPK3RPS6KA5PRKD3

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 119/4885CDK2 28/4885DAPK3 318/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885CDK2 28/4885DAPK3 318/4885

“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.