SCHEMBL709720

SCHEMBL709720

Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 11/20 0.77
KDR P35968 6/20 0.77
LCK P06239 3/20 0.77
NTRK1 P04629 2/20 0.77
CDK1 P06493 2/20 0.77
LYN P07948 2/20 0.77
MARK3 P27448 2/20 0.77
FLT3 P36888 2/20 0.77
GSK3B P49841 2/20 0.77
BLK P51451 2/20 0.77
RPS6KA3 P51812 2/20 0.77
STK3 Q13188 2/20 0.77
ROCK1 Q13464 2/20 0.77
NTRK2 Q16620 2/20 0.77
MARK2 Q7KZI7 2/20 0.77
IKBKB O14920 1/20 0.77
PDPK1 O15530 1/20 0.77
EGFR P00533 1/20 0.77
FYN P06241 1/20 0.77
PIM1 P11309 1/20 0.77

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
SCHEMBL707285 0.90 AURKB (0.78) AURKBKDRLCKNTRK1CDK1
SCHEMBL710323 0.87 AURKB (1.00) AURKBKDRLCKNTRK1CDK1
SCHEMBL711553 0.87 AURKB (0.81) AURKBKDRLCKNTRK1CDK1
SCHEMBL709069 0.86 AURKB (1.00) AURKBKDRLCKNTRK1CDK1
SCHEMBL709714 0.86 AURKB (0.81) AURKBKDRLCKNTRK1CDK1
SCHEMBL709079 0.85 AURKB (1.00) AURKBKDRLCKNTRK1CDK1
SCHEMBL1423109 0.84 AURKB (0.97) AURKBKDRLCKNTRK1CDK1
SCHEMBL709181 0.83 AURKB (0.75) AURKBKDRLCKNTRK1CDK1
SCHEMBL711539 0.83 AURKB (0.77) AURKBKDRLCKNTRK1CDK1
SCHEMBL710637 0.82 AURKB (1.00) AURKBKDRLCKNTRK1CDK1

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
EP-2297151-A1 INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-03-23 EP 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
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 2/4885KDR 2634/4885LCK 316/4885

“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.