SCHEMBL709172

SCHEMBL709172

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 10/20 0.73
AURKA O14965 9/20 0.73
NTRK2 Q16620 4/20 0.73
KDR P35968 4/20 0.73
NTRK1 P04629 3/20 0.73
CDK1 P06493 3/20 0.73
PIM1 P11309 3/20 0.73
MARK3 P27448 3/20 0.73
JAK3 P52333 3/20 0.73
STK3 Q13188 3/20 0.73
MARK2 Q7KZI7 3/20 0.73
EGFR P00533 2/20 0.73
ROCK1 Q13464 2/20 0.73
PDPK1 O15530 2/20 0.73
LCK P06239 2/20 0.73
LYN P07948 2/20 0.73
BLK P51451 2/20 0.73
IRAK4 Q9NWZ3 2/20 0.73
IKBKB O14920 1/20 0.73
FYN P06241 1/20 0.73

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
SCHEMBL709181 0.92 AURKB (0.75) AURKBAURKANTRK2KDRNTRK1
SCHEMBL708255 0.90 AURKB (0.73) AURKBAURKANTRK2KDRNTRK1
SCHEMBL711553 0.86 AURKB (0.81) AURKBAURKANTRK2KDRNTRK1
SCHEMBL708691 0.85 AURKB (0.86) AURKBAURKANTRK2KDRNTRK1
SCHEMBL709714 0.85 AURKB (0.81) AURKBAURKANTRK2KDRNTRK1
SCHEMBL709741 0.84 AURKB (0.69) AURKBAURKANTRK2KDRNTRK1
SCHEMBL709079 0.84 AURKB (1.00) AURKBAURKANTRK2KDRNTRK1
SCHEMBL710323 0.84 AURKB (1.00) AURKBAURKANTRK2KDRNTRK1
SCHEMBL708721 0.84 AURKB (0.88) AURKBAURKANTRK2KDRNTRK1
SCHEMBL710759 0.84 AURKB (1.00) AURKBAURKANTRK2KDRNTRK1

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 8 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
WO-2009136966-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-11-12 WO 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 4/4885NTRK2 3333/4885

“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.