Sugi Predict

Sugi Predict / Compounds / SCHEMBL545406

SCHEMBL545406

SCHEMBL545406

COc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3cccc(F)c3)c2)c2c(N)noc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 18/20 0.71
▸ AURKA O14965 16/20 0.71
▸ CDK8 P49336 1/20 0.59
▸ FLT1 P17948 4/20 0.51
▸ KDR P35968 4/20 0.51
▸ FLT3 P36888 4/20 0.51
▸ ROCK2 O75116 2/20 0.51
▸ RPS6KA5 O75582 2/20 0.51
▸ MAP4K4 O95819 2/20 0.51
▸ NTRK1 P04629 2/20 0.51
▸ INSR P06213 2/20 0.51
▸ LCK P06239 2/20 0.51
▸ FYN P06241 2/20 0.51
▸ LYN P07948 2/20 0.51
▸ RET P07949 2/20 0.51
▸ MET P08581 2/20 0.51
▸ ROS1 P08922 2/20 0.51
▸ FGFR1 P11362 2/20 0.51
▸ FER P16591 2/20 0.51
▸ RPS6KB1 P23443 2/20 0.51

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
SCHEMBL546881 0.92 AURKB (0.70) AURKBAURKACDK8FLT1KDR
SCHEMBL545858 0.92 AURKB (0.72) AURKBAURKACDK8FLT1KDR
SCHEMBL546006 0.91 AURKB (0.61) AURKBAURKACDK8FLT1KDR
SCHEMBL545414 0.91 AURKB (0.61) AURKBAURKACDK8FLT1KDR
SCHEMBL546143 0.90 AURKB (0.73) AURKBAURKAFLT1KDRFLT3
SCHEMBL546650 0.90 AURKB (0.76) AURKBAURKACDK8
SCHEMBL546156 0.89 AURKB (0.72) AURKBAURKAFLT1KDRFLT3
SCHEMBL546017 0.89 AURKB (0.73) AURKBAURKAFLT1KDRFLT3
SCHEMBL546765 0.89 AURKB (0.67) AURKBAURKACDK8KDRKIT
SCHEMBL545991 0.89 AURKB (0.58) AURKBAURKACDK8FLT1KDR

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 4/4885CDK8 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.