SCHEMBL5094766

SCHEMBL5094766

Cn1cc(-c2ccnc(Nc3cccc(CN4CCN(CCO)CC4)c3)n2)c(-c2ccc(NC(=O)C(C)(C)C)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.51
▸ JAK3 P52333 4/20 0.51
▸ ABL1 P00519 7/20 0.49
▸ BCR P11274 7/20 0.49
▸ ACVR1 Q04771 3/20 0.49
▸ PDGFRA P16234 3/20 0.46
▸ PDGFRB P09619 2/20 0.46
▸ SRC P12931 2/20 0.46
▸ SYK P43405 2/20 0.46
▸ KIT P10721 3/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ DDX3X O00571 1/20 0.42
▸ GAK O14976 1/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ MAPK13 O15264 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ SLC22A3 O75751 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ CA1 P00915 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
SCHEMBL4658323 0.94 JAK2 (0.56) JAK2JAK3ABL1BCRACVR1
SCHEMBL4763658 0.91 JAK2 (0.51) JAK2JAK3ABL1BCRACVR1
SCHEMBL4629751 0.89 ACVR1 (0.49) JAK2JAK3ABL1BCRACVR1
SCHEMBL5103647 0.87 ACVR1 (0.53) JAK2JAK3ABL1BCRACVR1
SCHEMBL5103237 0.85 JAK2 (0.50) JAK2JAK3ABL1BCRACVR1
SCHEMBL4629323 0.84 JAK2 (0.57) JAK2JAK3ABL1BCRACVR1
SCHEMBL4629859 0.83 JAK2 (0.56) JAK2JAK3ABL1BCRACVR1
SCHEMBL5103276 0.82 JAK2 (0.54) JAK2JAK3ABL1BCRACVR1
SCHEMBL3271487 0.81 JAK2 (0.61) JAK2JAK3ABL1BCRACVR1
SCHEMBL4628222 0.79 JAK2 (0.54) JAK2JAK3ABL1BCRACVR1

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 JAK2 205/4885JAK3 90/4885ABL1 55/4885

“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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