SCHEMBL711539

SCHEMBL711539

COc1cccc(NC(=O)Nc2ccc(NC(=O)c3ccn4ncnc(N)c34)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 10/20 0.77
AURKA O14965 9/20 0.77
CDK8 P49336 2/20 0.74
KDR P35968 2/20 0.74
MAPK1 P28482 2/20 0.74
FLT3 P36888 2/20 0.74
IKBKB O14920 1/20 0.74
PDPK1 O15530 1/20 0.74
EGFR P00533 1/20 0.74
NTRK1 P04629 1/20 0.74
LCK P06239 1/20 0.74
FYN P06241 1/20 0.74
CDK1 P06493 1/20 0.74
LYN P07948 1/20 0.74
PIM1 P11309 1/20 0.74
MARK3 P27448 1/20 0.74
MAPK9 P45984 1/20 0.74
GSK3A P49840 1/20 0.74
GSK3B P49841 1/20 0.74
BLK P51451 1/20 0.74

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
SCHEMBL708688 0.90 AURKB (0.74) AURKBAURKACDK8KDRMAPK1
SCHEMBL709079 0.87 AURKB (1.00) AURKBAURKACDK8KDRMAPK1
SCHEMBL709741 0.87 AURKB (0.69) AURKBAURKACDK8KDRMAPK1
SCHEMBL711553 0.87 AURKB (0.81) AURKBAURKACDK8KDRMAPK1
SCHEMBL709714 0.86 AURKB (0.81) AURKBAURKACDK8KDRMAPK1
SCHEMBL710323 0.85 AURKB (1.00) AURKBAURKACDK8KDRMAPK1
SCHEMBL710921 0.84 AURKB (0.94) AURKBAURKACDK8KDRMAPK1
SCHEMBL709181 0.83 AURKB (0.75) AURKBAURKACDK8KDRMAPK1
SCHEMBL709720 0.83 AURKB (0.77) AURKBAURKACDK8KDRMAPK1
SCHEMBL710637 0.82 AURKB (1.00) AURKBAURKACDK8KDRMAPK1

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-8124759-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-28 US claimed
US-20090131425-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-05-21 US claimed
US-8124759-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-28 US disclosed
EP-2297151-A1 INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-03-23 EP disclosed
WO-2009136966-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-11-12 WO disclosed
US-20090131425-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-05-21 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 (1 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-20090131425-A1 INHIBITORS OF PROTEIN KINASES AURKC, AURKB, PLK1 AURKB 2/4885AURKA 4/4885CDK8 42/4885

“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.