SCHEMBL546333

SCHEMBL546333

Cn1nc(N)c2c(C(=O)Nc3cccc(CNC(=O)Nc4cccc(C(F)(F)F)c4)c3)cccc21

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 16/20 0.89
▸ AURKA O14965 14/20 0.89
▸ DYRK3 O43781 1/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ ROCK2 O75116 1/20 0.54
▸ MAP4K4 O95819 1/20 0.54
▸ EGFR P00533 1/20 0.54
▸ NTRK1 P04629 1/20 0.54
▸ INSR P06213 1/20 0.54
▸ LCK P06239 1/20 0.54
▸ FYN P06241 1/20 0.54
▸ CSF1R P07333 1/20 0.54
▸ LYN P07948 1/20 0.54
▸ RET P07949 1/20 0.54
▸ MET P08581 1/20 0.54
▸ KIT P10721 1/20 0.54
▸ FGFR1 P11362 1/20 0.54
▸ SRC P12931 1/20 0.54
▸ FER P16591 1/20 0.54
▸ FLT1 P17948 1/20 0.54

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
SCHEMBL545607 0.94 AURKB (1.00) AURKBAURKADYRK3JAK2ROCK2
SCHEMBL546062 0.88 AURKB (1.00) AURKBAURKACDK8LMNA
SCHEMBL545733 0.88 AURKB (0.88) AURKBAURKACDK8
SCHEMBL546018 0.86 AURKB (0.79) AURKBAURKACDK8
SCHEMBL546702 0.85 AURKB (0.81) AURKBAURKALCKCSF1RKIT
SCHEMBL545441 0.84 AURKB (0.79) AURKBAURKACDK8
SCHEMBL545768 0.83 AURKB (0.75) AURKBAURKARPS6KB1CDK8
SCHEMBL545954 0.82 AURKB (0.75) AURKBAURKALCKCSF1RKIT
SCHEMBL546405 0.81 AURKA (0.79) AURKBAURKAROCK2EGFRNTRK1
SCHEMBL546885 0.80 AURKB (0.69) AURKBAURKADYRK3ROCK2MAP4K4

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 4/4885DYRK3 1216/4885

“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.

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