SCHEMBL545918

SCHEMBL545918

Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 20/20 1.00
AURKA O14965 13/20 1.00
CDK8 P49336 1/20 0.56

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
SCHEMBL546489 0.92 AURKB (0.85) AURKBAURKACDK8
SCHEMBL546643 0.92 AURKB (1.00) AURKBAURKACDK8
SCHEMBL546437 0.91 AURKB (1.00) AURKBAURKACDK8
SCHEMBL546794 0.90 AURKB (1.00) AURKBAURKA
SCHEMBL545639 0.90 AURKB (0.91) AURKBAURKACDK8
SCHEMBL545262 0.90 AURKB (0.89) AURKBAURKACDK8
SCHEMBL546481 0.90 AURKB (1.00) AURKBAURKACDK8
SCHEMBL545340 0.88 AURKB (1.00) AURKBAURKACDK8
SCHEMBL545683 0.88 AURKB (1.00) AURKBAURKA
SCHEMBL546332 0.88 AURKB (1.00) AURKBAURKA

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
US-20090054430-A1 Inhibitors of Protein Kinases ABBOTT LABORATORIES (US) 2009-02-26 US 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.