SCHEMBL6855487

SCHEMBL6855487

Cc1ccc(C[C@H](N)COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)cc1F

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.77
CDC7 O00311 2/20 0.58
AURKA O14965 2/20 0.58
MAPK13 O15264 2/20 0.58
DAPK3 O43293 2/20 0.58
DYRK3 O43781 2/20 0.58
RPS6KA5 O75582 2/20 0.58
PRKD3 O94806 2/20 0.58
PAK4 O96013 2/20 0.58
CHEK2 O96017 2/20 0.58
PRKCG P05129 2/20 0.58
CDK1 P06493 2/20 0.58
PIM1 P11309 2/20 0.58
PHKG2 P15735 2/20 0.58
FER P16591 2/20 0.58
RPS6KB1 P23443 2/20 0.58
CDK2 P24941 2/20 0.58
MARK3 P27448 2/20 0.58
MAPK1 P28482 2/20 0.58
AKT2 P31751 2/20 0.58

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
SCHEMBL7109791 1.00 AKT1 (0.77) AKT1CDC7AURKAMAPK13DAPK3
SCHEMBL6854654 1.00 AKT1 (0.77) AKT1CDC7AURKAMAPK13DAPK3
SCHEMBL6854927 0.94 AKT1 (0.68) AKT1CDC7AURKAMAPK13DAPK3
SCHEMBL6833652 0.93 AKT1 (0.77) AKT1CDC7AURKAMAPK13DAPK3
SCHEMBL6849796 0.92 AKT1 (0.65) AKT1CDC7AURKAMAPK13DAPK3
SCHEMBL6855245 0.92 AKT1 (0.65) AKT1CDC7AURKAMAPK13DAPK3
SCHEMBL6849777 0.91 AKT1 (0.78) AKT1CDC7AURKAMAPK13DAPK3
SCHEMBL6853392 0.91 AKT1 (0.65) AKT1CDC7AURKAMAPK13DAPK3
SCHEMBL6857763 0.91 AKT1 (0.78) AKT1CDC7AURKAMAPK13DAPK3
SCHEMBL6849678 0.90 AKT1 (0.62) AKT1CDC7AURKAMAPK13DAPK3

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 119/4885CDC7 76/4885AURKA 261/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885CDC7 76/4885AURKA 261/4885

“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.