SCHEMBL6854548

SCHEMBL6854548

N[C@H](COc1cncc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)c1)Cc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 1.00
PRKACA P17612 4/20 0.73
AKT3 Q9Y243 4/20 0.73
PRKACG P22612 3/20 0.73
PRKACB P22694 3/20 0.73
AKT2 P31751 3/20 0.73
PIM1 P11309 3/20 0.73
GSK3A P49840 3/20 0.73
GSK3B P49841 3/20 0.73
RPS6KA3 P51812 3/20 0.73
DAPK3 O43293 2/20 0.73
PRKD3 O94806 2/20 0.73
MAP4K4 O95819 2/20 0.73
PRKCG P05129 2/20 0.73
CDK1 P06493 2/20 0.73
MAPK1 P28482 2/20 0.73
KDR P35968 2/20 0.73
CLK2 P49760 2/20 0.73
PRKX P51817 2/20 0.73
CDK5 Q00535 2/20 0.73

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
SCHEMBL7161667 1.00 AKT1 (1.00) AKT1PRKACAAKT3PRKACGPRKACB
SCHEMBL6855274 0.91 AKT1 (1.00) AKT1PRKACAAKT3PRKACGPRKACB
SCHEMBL6857922 0.91 AKT1 (1.00) AKT1PRKACAAKT3PRKACGPRKACB
SCHEMBL6854805 0.91 AKT1 (0.83) AKT1PRKACAAKT3PRKACGPRKACB
SCHEMBL7105743 0.91 AKT1 (1.00) AKT1PRKACAAKT3PRKACGPRKACB
A-443654 SCHEMBL6855479 0.90 AKT1 (0.85) AKT1PRKACAAKT3PRKACGPRKACB
A-443654 SCHEMBL19859268 0.90 AKT1 (0.85) AKT1PRKACAAKT3PRKACGPRKACB
A-443654 SCHEMBL29374078 0.90 AKT1 (0.85) AKT1PRKACAAKT3PRKACGPRKACB
A-443654 SCHEMBL29644958 0.90 AKT1 (0.85) AKT1PRKACAAKT3PRKACGPRKACB
A-443654 SCHEMBL2738467 0.90 AKT1 (0.85) AKT1PRKACAAKT3PRKACGPRKACB

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 119/4885PRKACA 27/4885AKT3 156/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885PRKACA 27/4885AKT3 156/4885

“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.