SCHEMBL545848

SCHEMBL545848

Cc1cccc(C(=O)NCc2cccc(NC(=O)c3cccc4onc(N)c34)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 16/20 0.74
AURKA O14965 9/20 0.74
PPARG P37231 1/20 0.50
KIT P10721 1/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL546106 0.91 AURKB (0.82) AURKBAURKAALDH1A1HPGDHTT
SCHEMBL545709 0.90 AURKB (0.88) AURKBAURKAKITKDRFLT3
SCHEMBL545943 0.89 AURKB (0.81) AURKBAURKAKITKDR
SCHEMBL546739 0.86 AURKB (0.81) AURKBAURKA
SCHEMBL545683 0.85 AURKB (1.00) AURKBAURKAKITKDRFLT3
SCHEMBL546252 0.85 AURKB (0.86) AURKBAURKAKITKDRFLT3
SCHEMBL546481 0.83 AURKB (1.00) AURKBAURKA
SCHEMBL545260 0.83 AURKB (0.81) AURKBAURKAKITKDRFLT3
SCHEMBL545446 0.82 AURKB (0.80) AURKBAURKAKITKDRFLT3
SCHEMBL545262 0.81 AURKB (0.89) AURKBAURKAKITKDRFLT3

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 10 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
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 4/4885PPARG 4218/4885

“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.