SCHEMBL545284

SCHEMBL545284

Nc1noc2c(OCCN3CCOCC3)ccc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.59
KDR P35968 2/20 0.59
FLT3 P36888 2/20 0.59
EPHX2 P34913 5/20 0.52
AURKB Q96GD4 2/20 0.50
HTR2A P28223 5/20 0.46
HTR2C P28335 4/20 0.46
MTOR P42345 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KCNH2 Q12809 1/20 0.45
PTPN11 Q06124 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK14 Q16539 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
SCHEMBL16457003 0.93 KDR (0.53) KITKDRFLT3EPHX2AURKB
SCHEMBL545526 0.89 AURKA (0.59) KITKDRFLT3EPHX2AURKB
SCHEMBL546199 0.85 AURKB (0.61) KITKDRFLT3EPHX2AURKB
SCHEMBL546651 0.84 AURKB (0.62) KITKDRFLT3EPHX2AURKB
SCHEMBL545388 0.84 KIT (0.52) KITKDRFLT3
SCHEMBL545681 0.83 AURKB (0.60) KITKDRFLT3AURKBHTR2A
SCHEMBL422704 0.80 KDR (0.79) KITKDRFLT3AURKBHTR2A
SCHEMBL1384424 0.79 KDR (0.73) KITKDRFLT3EPHX2AURKB
SCHEMBL421068 0.78 KDR (0.69) KITKDRFLT3EPHX2AURKB
SCHEMBL546420 0.78 AURKB (0.61) KITKDRFLT3AURKB

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 KIT 1253/4885KDR 2634/4885FLT3 715/4885

“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.