SCHEMBL4629859

SCHEMBL4629859

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.56
▸ JAK3 P52333 5/20 0.56
▸ AURKA O14965 8/20 0.56
▸ AURKB Q96GD4 8/20 0.56
▸ ACVR1 Q04771 3/20 0.51
▸ IGF1R P08069 2/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ PDGFRB P09619 2/20 0.46
▸ BCR P11274 2/20 0.46
▸ SRC P12931 2/20 0.46
▸ PDGFRA P16234 2/20 0.46
▸ SYK P43405 2/20 0.46
▸ PLK4 O00444 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ FLT3 P36888 2/20 0.43
▸ DDR1 Q08345 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ DDR2 Q16832 2/20 0.43
▸ CIT O14578 1/20 0.43
▸ EPHB6 O15197 1/20 0.43

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
SCHEMBL5103276 0.93 JAK2 (0.54) JAK2JAK3AURKAAURKBACVR1
SCHEMBL5096887 0.91 AURKA (0.58) JAK2JAK3AURKAAURKBACVR1
SCHEMBL4629323 0.90 JAK2 (0.57) JAK2JAK3AURKAAURKBACVR1
SCHEMBL4658323 0.90 JAK2 (0.56) JAK2JAK3AURKAAURKBACVR1
SCHEMBL4658010 0.87 ABL1 (0.58) JAK2JAK3AURKAAURKBACVR1
SCHEMBL4629751 0.86 ACVR1 (0.49) JAK2JAK3AURKAAURKBACVR1
SCHEMBL5103235 0.86 JAK2 (0.58) JAK2JAK3ACVR1IGF1RABL1
SCHEMBL5097244 0.84 JAK2 (0.56) JAK2JAK3ACVR1IGF1RABL1
SCHEMBL4763658 0.84 JAK2 (0.51) JAK2JAK3AURKAAURKBACVR1
SCHEMBL5094766 0.83 JAK2 (0.51) JAK2JAK3AURKAAURKBACVR1

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 4 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
EP-1917258-A2 PYRIMIDINYL-PYRAZOLE INHIBITORS OF AURORA KINASES SmithKline Beecham Corporation (US) 2008-05-07 — — EP claimed
WO-2007024843-A2 PYRIMIDINYL-PYRAZOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-01 — — WO 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 JAK2 205/4885JAK3 90/4885AURKA 1/4885

“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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