SCHEMBL546239

SCHEMBL546239

Cc1ccc(C(=O)Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)c2c(N)noc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 13/20 0.60
KDR P35968 10/20 0.58
KIT P10721 7/20 0.58
AURKA O14965 7/20 0.57
FLT3 P36888 7/20 0.53
NTRK1 P04629 3/20 0.51
LCK P06239 3/20 0.51
FYN P06241 3/20 0.51
LYN P07948 3/20 0.51
MARK3 P27448 3/20 0.51
BLK P51451 3/20 0.51
RPS6KA3 P51812 3/20 0.51
STK3 Q13188 3/20 0.51
ROCK1 Q13464 3/20 0.51
NTRK2 Q16620 3/20 0.51
MARK2 Q7KZI7 3/20 0.51
PDPK1 O15530 2/20 0.51
PIM1 P11309 2/20 0.51
GSK3B P49841 2/20 0.51
ERBB4 Q15303 2/20 0.51

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
SCHEMBL546269 0.88 AURKB (0.67) AURKBKDRKITAURKAFLT3
SCHEMBL546650 0.88 AURKB (0.76) AURKBAURKACDK8
SCHEMBL421195 0.87 KDR (0.71) AURKBKDRKITAURKAFLT3
SCHEMBL545370 0.85 KDR (0.57) AURKBKDRKITAURKAFLT3
SCHEMBL545738 0.84 AURKB (0.83) AURKBKDRKITAURKAFLT3
SCHEMBL545798 0.82 AURKB (0.68) AURKBKDRKITAURKAFLT3
SCHEMBL546122 0.81 AURKB (0.75) AURKBAURKACDK8
SCHEMBL545406 0.78 AURKB (0.71) AURKBKDRKITAURKAFLT3
SCHEMBL546179 0.77 AURKB (0.85) AURKBKDRKITAURKAFLT3
SCHEMBL423631 0.76 KDR (0.74) AURKBKDRKITAURKAFLT3

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
EP-2170834-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2010-04-07 EP claimed
US-20090054430-A1 Inhibitors of Protein Kinases ABBOTT LABORATORIES (US) 2009-02-26 US claimed
WO-2009012312-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-01-22 WO claimed
EP-2170834-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBVIE INC (US) 2014-01-08 EP disclosed
US-8110572-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-07 US disclosed
EP-2170834-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2010-04-07 EP disclosed
US-20090054430-A1 Inhibitors of Protein Kinases ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
WO-2009012312-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-01-22 WO 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-20090054430-A1 Inhibitors of Protein Kinases AURKC, AURKB, PLK1 AURKB 2/4885KDR 2634/4885KIT 1253/4885

“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.