SCHEMBL546006

SCHEMBL546006

COc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccc(F)cc3F)c2)c2c(N)noc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 17/20 0.61
AURKA O14965 14/20 0.59
CDK8 P49336 1/20 0.49
CSF1R P07333 2/20 0.44
PDGFRB P09619 2/20 0.44
KIT P10721 2/20 0.44
FLT1 P17948 2/20 0.44
KDR P35968 2/20 0.44
FLT3 P36888 2/20 0.44
TEK Q02763 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL545414 0.94 AURKB (0.61) AURKBAURKACDK8CSF1RPDGFRB
SCHEMBL546155 0.92 AURKB (0.60) AURKBAURKACDK8CSF1RPDGFRB
SCHEMBL545406 0.91 AURKB (0.71) AURKBAURKACDK8CSF1RPDGFRB
SCHEMBL545858 0.88 AURKB (0.72) AURKBAURKACDK8CSF1RPDGFRB
SCHEMBL546881 0.87 AURKB (0.70) AURKBAURKACDK8CSF1RPDGFRB
SCHEMBL546143 0.85 AURKB (0.73) AURKBAURKACSF1RPDGFRBKIT
SCHEMBL546156 0.84 AURKB (0.72) AURKBAURKACSF1RPDGFRBKIT
SCHEMBL546017 0.84 AURKB (0.73) AURKBAURKACSF1RPDGFRBKIT
SCHEMBL545991 0.83 AURKB (0.58) AURKBAURKACDK8CSF1RPDGFRB
SCHEMBL546759 0.82 AURKB (0.58) AURKBAURKACDK8CSF1RPDGFRB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170834-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBVIE INC (US) 2014-01-08 EP claimed
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 2/4885AURKA 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.