SCHEMBL5096887

SCHEMBL5096887

CN(C)C(=O)Nc1ccc(-c2nn(CCO)cc2-c2ccnc(Nc3cccc(CN4CCCC4)c3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 9/20 0.58
▸ AURKB Q96GD4 9/20 0.58
▸ ACVR1 Q04771 4/20 0.53
▸ JAK2 O60674 5/20 0.53
▸ JAK3 P52333 4/20 0.53
▸ PLK4 O00444 1/20 0.46
▸ CIT O14578 1/20 0.46
▸ EPHB6 O15197 1/20 0.46
▸ RIPK2 O43353 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ RET P07949 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ FECH P22830 1/20 0.46

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
SCHEMBL4629859 0.91 JAK2 (0.56) AURKAAURKBACVR1JAK2JAK3
SCHEMBL5094850 0.88 JAK2 (0.54) AURKAAURKBACVR1JAK2JAK3
SCHEMBL5090937 0.87 ACVR1 (0.57) AURKAAURKBACVR1JAK2JAK3
SCHEMBL5103295 0.85 ACVR1 (0.54) AURKAAURKBACVR1JAK2JAK3
SCHEMBL5103276 0.84 JAK2 (0.54) AURKAAURKBACVR1JAK2JAK3
SCHEMBL4629751 0.82 ACVR1 (0.49) AURKAAURKBACVR1JAK2JAK3
SCHEMBL5094669 0.82 ACVR1 (0.57) ACVR1JAK2JAK3PLK4ABL1
SCHEMBL4629323 0.82 JAK2 (0.57) AURKAAURKBACVR1JAK2JAK3
SCHEMBL5103285 0.82 ABL1 (0.54) AURKAAURKBACVR1JAK2JAK3
SCHEMBL4629187 0.81 ACVR1 (0.62) AURKAAURKBACVR1JAK2JAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases SMITHKLINE BEECHAM CORPORATION 2008-10-02 — — US claimed
US-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases SMITHKLINE BEECHAM CORPORATION 2008-10-02 — — 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-20080242667-A1 Pyrimidinyl-Pyrazole Inhibitors of Aurora Kinases AURKA, AURKC, PLK1 AURKA 1/4885AURKB 4/4885ACVR1 1609/4885

“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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