SCHEMBL6853323

SCHEMBL6853323

CC(C)(C)OC(=O)NC(COc1cncc(-c2cccc(Nc3ccnc(N)n3)c2)c1)Cc1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.62
DYRK3 O43781 1/20 0.53
ROCK2 O75116 1/20 0.53
PRKD3 O94806 1/20 0.53
PRKCG P05129 1/20 0.53
LCK P06239 1/20 0.53
CDK1 P06493 1/20 0.53
PIM1 P11309 1/20 0.53
PRKACA P17612 1/20 0.53
RPS6KB1 P23443 1/20 0.53
CDK2 P24941 1/20 0.53
AKT2 P31751 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
FLT3 P36888 1/20 0.53
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
CLK2 P49760 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53

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
SCHEMBL6853321 1.00 AKT1 (0.62) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6855367 0.86 HDAC3 (0.60) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6855362 0.86 HDAC3 (0.60) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6855256 0.86 AKT1 (0.73) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6855261 0.86 AKT1 (0.73) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6849795 0.84 AKT1 (0.85) AKT1PRKD3PRKCGCDK1PIM1
SCHEMBL6855215 0.81 AKT1 (0.57) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6854780 0.81 AKT1 (0.68) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6854786 0.81 AKT1 (0.68) AKT1DYRK3ROCK2PRKD3PRKCG
SCHEMBL6853319 0.80 AKT1 (0.68) AKT1DYRK3ROCK2PRKD3PRKCG

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 119/4885DYRK3 1493/4885ROCK2 581/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AKT1 119/4885DYRK3 1493/4885ROCK2 581/4885

“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.