SCHEMBL6855856

SCHEMBL6855856

Cc1n[nH]c2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3Cl)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.71
AKT3 Q9Y243 4/20 0.71
PRKACA P17612 4/20 0.71
AKT2 P31751 3/20 0.71
PRKACG P22612 3/20 0.71
PRKACB P22694 3/20 0.71
PRKCG P05129 2/20 0.71
CDK1 P06493 2/20 0.71
MAPK1 P28482 2/20 0.71
SRC P12931 1/20 0.71
CSNK2A2 P19784 1/20 0.71
CSNK2B P67870 1/20 0.71
CSNK2A1 P68400 1/20 0.71
GSK3B P49841 2/20 0.60
PAK1 Q13153 2/20 0.60
ROCK1 Q13464 2/20 0.60
CDC7 O00311 1/20 0.60
DCLK1 O15075 1/20 0.60
CHUK O15111 1/20 0.60
MAPK13 O15264 1/20 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
SCHEMBL5467930 0.89 AKT1 (0.71) AKT1AKT3PRKACAAKT2PRKACG
SCHEMBL4791400 0.87 AKT1 (0.64) AKT1AKT3PRKACAAKT2PRKACG
SCHEMBL4658404 0.87 AKT1 (0.64) AKT1AKT3PRKACAAKT2PRKACG
SCHEMBL4791403 0.87 AKT1 (0.64) AKT1AKT3PRKACAAKT2PRKACG
SCHEMBL4658407 0.87 AKT1 (0.64) AKT1AKT3PRKACAAKT2PRKACG
SCHEMBL4658684 0.87 AKT1 (0.63) AKT1AKT3PRKACAAKT2PRKACG
SCHEMBL4658679 0.87 AKT1 (0.63) AKT1AKT3PRKACAAKT2PRKACG
SCHEMBL4660650 0.86 AKT1 (0.72) AKT1AKT3PRKACAAKT2PRKACG
SCHEMBL4659791 0.86 AKT1 (0.63) AKT1AKT3PRKACAAKT2PRKACG
A-443654 SCHEMBL2738467 0.86 AKT1 (0.85) AKT1AKT3PRKACAAKT2PRKACG

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 119/4885AKT3 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.