SCHEMBL546885

SCHEMBL546885

Cn1nc(N)c2c(C(=O)Nc3cccc(CN)c3)cccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 13/20 0.69
▸ AURKA O14965 10/20 0.69
▸ KDR P35968 2/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ PRKCI P41743 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ PLK4 O00444 1/20 0.42
▸ MAPK13 O15264 1/20 0.42
▸ DYRK3 O43781 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ RPS6KA5 O75582 1/20 0.42
▸ RPS6KA4 O75676 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ RET P07949 1/20 0.42
▸ MET P08581 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ FGFR1 P11362 1/20 0.42

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
SCHEMBL546062 0.82 AURKB (1.00) AURKBAURKACDK8
SCHEMBL546018 0.81 AURKB (0.79) AURKBAURKAKDRFLT3CDK8
SCHEMBL545733 0.81 AURKB (0.88) AURKBAURKAKDRFLT3CDK8
SCHEMBL545768 0.81 AURKB (0.75) AURKBAURKACDK8RPS6KB1
SCHEMBL546333 0.80 AURKB (0.89) AURKBAURKACDK8DYRK3ROCK2
SCHEMBL546702 0.79 AURKB (0.81) AURKBAURKAKDRFLT3CDK8
SCHEMBL545607 0.79 AURKB (1.00) AURKBAURKAKDRFLT3CDK8
SCHEMBL545441 0.79 AURKB (0.79) AURKBAURKACDK8
SCHEMBL545954 0.78 AURKB (0.75) AURKBAURKAKDRFLT3CDK8
SCHEMBL27484183 0.78 FADS1 (0.60) AURKB

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 3 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 disclosed
US-8110572-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-07 — — US disclosed
US-20090054430-A1 Inhibitors of Protein Kinases ABBOTT LABORATORIES (US) 2009-02-26 — — US 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 4/4885KDR 2634/4885

“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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