SCHEMBL545681

SCHEMBL545681

Nc1noc2c(OCCN3CCOCC3)ccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 14/20 0.60
AURKA O14965 13/20 0.60
KIT P10721 1/20 0.51
KDR P35968 1/20 0.51
FLT3 P36888 1/20 0.51
HTR2A P28223 4/20 0.51
HTR2C P28335 2/20 0.51
CDK8 P49336 1/20 0.51
KCNH2 Q12809 1/20 0.46
RPS6KB1 P23443 1/20 0.45

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
SCHEMBL545526 0.94 AURKA (0.59) AURKBAURKAKITKDRFLT3
SCHEMBL546199 0.91 AURKB (0.61) AURKBAURKAKITKDRFLT3
SCHEMBL546651 0.91 AURKB (0.62) AURKBAURKAKITKDRFLT3
SCHEMBL16457003 0.87 KDR (0.53) AURKBAURKAKITKDRFLT3
SCHEMBL546765 0.87 AURKB (0.67) AURKBAURKAKITKDRCDK8
SCHEMBL546420 0.85 AURKB (0.61) AURKBAURKAKITKDRFLT3
SCHEMBL546364 0.84 AURKB (0.61) AURKBAURKAKITKDRFLT3
SCHEMBL545351 0.84 AURKB (0.62) AURKBAURKAKITKDRFLT3
SCHEMBL545406 0.84 AURKB (0.71) AURKBAURKAKITKDRFLT3
SCHEMBL545284 0.83 KIT (0.59) AURKBKITKDRFLT3HTR2A

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 4/4885KIT 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.