SCHEMBL546547

SCHEMBL546547

Nc1nsc2cccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 13/20 0.77
AURKA O14965 9/20 0.77
CDK8 P49336 3/20 0.77
KDR P35968 8/20 0.56
FLT3 P36888 6/20 0.56
KIT P10721 5/20 0.56
RPS6KA3 P51812 3/20 0.53
ROCK1 Q13464 3/20 0.53
LCK P06239 3/20 0.53
LYN P07948 3/20 0.53
BLK P51451 3/20 0.53
PIM1 P11309 2/20 0.53
STK3 Q13188 2/20 0.53
NTRK2 Q16620 2/20 0.53
FYN P06241 2/20 0.53
IKBKB O14920 1/20 0.53
PDPK1 O15530 1/20 0.53
EGFR P00533 1/20 0.53
NTRK1 P04629 1/20 0.53
CDK1 P06493 1/20 0.53

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
SCHEMBL546594 0.89 AURKB (0.62) AURKBAURKACDK8KDRFLT3
SCHEMBL545824 0.87 AURKB (1.00) AURKBAURKACDK8
SCHEMBL545731 0.84 AURKB (0.68) AURKBAURKACDK8KDRFLT3
SCHEMBL546160 0.79 AURKB (0.84) AURKBAURKACDK8KDRKIT
SCHEMBL545601 0.78 AURKA (0.77) AURKBAURKAKDRFLT3KIT
SCHEMBL545738 0.78 AURKB (0.83) AURKBAURKAKDRFLT3KIT
SCHEMBL546617 0.78 AURKB (1.00) AURKBAURKACDK8KDRFLT3
SCHEMBL4721626 0.74 STK3 (0.78) AURKBAURKACDK8KDRFLT3
SCHEMBL546239 0.74 AURKB (0.60) AURKBAURKACDK8KDRFLT3
SCHEMBL28156202 0.73 MTOR (0.68) CDK8KDRFLT3KITLCK

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 4/4885CDK8 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.