SCHEMBL545749

SCHEMBL545749

Nc1n[nH]c2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccccc4F)c3)c12

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 15/20 0.79
AURKA O14965 14/20 0.79
KDR P35968 5/20 0.59
KIT P10721 1/20 0.54
FLT3 P36888 1/20 0.54
CDK8 P49336 1/20 0.54
RPS6KB1 P23443 1/20 0.49

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
SCHEMBL546053 0.90 AURKB (0.77) AURKBAURKAKDRKITFLT3
SCHEMBL546261 0.90 AURKB (0.77) AURKBAURKAKDRKITFLT3
SCHEMBL546244 0.89 AURKB (0.84) AURKBAURKAKDRKITFLT3
SCHEMBL544579 0.88 AURKB (1.00) AURKBAURKAKDRKITFLT3
SCHEMBL545930 0.88 AURKB (0.75) AURKBAURKAKDRKITFLT3
SCHEMBL546618 0.88 AURKB (1.00) AURKBAURKAKDRKITFLT3
SCHEMBL546077 0.87 AURKB (0.91) AURKBAURKAKDRKITFLT3
SCHEMBL545686 0.87 AURKB (0.88) AURKBAURKAKDRKITFLT3
SCHEMBL545797 0.86 AURKB (0.85) AURKBAURKAKDRKITFLT3
SCHEMBL546266 0.84 AURKA (0.80) AURKBAURKAKDRKITFLT3

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-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBVIE INC (US) 2014-01-08 EP claimed
US-8110572-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-07 US 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
US-20090054430-A1 Inhibitors of Protein Kinases ABBOTT LABORATORIES (US) 2009-02-26 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-20090054430-A1 Inhibitors of Protein Kinases AURKC, AURKB, PLK1 AURKB 2/4885AURKA 4/4885KDR 2634/4885

“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.