SCHEMBL6854804

SCHEMBL6854804

COC(=O)c1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.79
AKT3 Q9Y243 3/20 0.69
PRKACA P17612 3/20 0.69
DYRK3 O43781 2/20 0.69
PRKD3 O94806 2/20 0.69
CSNK1D P48730 2/20 0.69
CLK2 P49760 2/20 0.69
GSK3A P49840 2/20 0.69
RPS6KA3 P51812 2/20 0.69
STK3 Q13188 2/20 0.69
CAMK2B Q13554 2/20 0.69
CAMK2G Q13555 2/20 0.69
PRKD2 Q9BZL6 2/20 0.69
PIM2 Q9P1W9 2/20 0.69
AKT2 P31751 1/20 0.69
CDC7 O00311 1/20 0.69
DCLK1 O15075 1/20 0.69
CHUK O15111 1/20 0.69
MAPK13 O15264 1/20 0.69
PDPK1 O15530 1/20 0.69

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
SCHEMBL6854813 1.00 AKT1 (0.79) AKT1AKT3PRKACADYRK3PRKD3
SCHEMBL7151107 1.00 AKT1 (0.79) AKT1AKT3PRKACADYRK3PRKD3
SCHEMBL6928074 0.91 AKT1 (0.82) AKT1AKT3PRKACADYRK3PRKD3
SCHEMBL6854587 0.91 AKT1 (0.82) AKT1AKT3PRKACADYRK3PRKD3
SCHEMBL6854572 0.91 AKT1 (0.82) AKT1AKT3PRKACADYRK3PRKD3
SCHEMBL6855274 0.88 AKT1 (1.00) AKT1AKT3PRKACADYRK3PRKD3
A-443654 SCHEMBL6855479 0.88 AKT1 (0.85) AKT1AKT3PRKACADYRK3PRKD3
A-443654 SCHEMBL19859268 0.88 AKT1 (0.85) AKT1AKT3PRKACADYRK3PRKD3
A-443654 SCHEMBL2738467 0.88 AKT1 (0.85) AKT1AKT3PRKACADYRK3PRKD3
A-443654 SCHEMBL29644958 0.88 AKT1 (0.85) AKT1AKT3PRKACADYRK3PRKD3

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 3 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
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 119/4885AKT3 156/4885PRKACA 27/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885AKT3 156/4885PRKACA 27/4885

“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.