SCHEMBL4628252

SCHEMBL4628252

Cn1cc(-c2ccnc(Nc3cccc(CCN4CCOCC4)c3)n2)c(-c2ccc(NC(=O)c3ccccc3)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.57
▸ BCR P11274 5/20 0.57
▸ ACVR1 Q04771 1/20 0.51
▸ JAK2 O60674 6/20 0.50
▸ IGF1R P08069 3/20 0.50
▸ JAK3 P52333 3/20 0.49
▸ KDR P35968 2/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ PDGFRB P09619 2/20 0.47
▸ SRC P12931 2/20 0.47
▸ PDGFRA P16234 2/20 0.47
▸ SYK P43405 1/20 0.47
▸ EGFR P00533 1/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ MET P08581 1/20 0.45
▸ PRKD3 O94806 1/20 0.44
▸ PRKCG P05129 1/20 0.44
▸ PRKCB P05771 1/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ PRKCH P24723 1/20 0.44

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
SCHEMBL4658010 0.90 ABL1 (0.58) ABL1BCRACVR1JAK2IGF1R
SCHEMBL5090902 0.90 ABL1 (0.58) ABL1BCRACVR1JAK2IGF1R
SCHEMBL4628127 0.89 ABL1 (0.57) ABL1BCRACVR1JAK2IGF1R
SCHEMBL4629173 0.89 ABL1 (0.57) ABL1BCRACVR1JAK2IGF1R
SCHEMBL4629866 0.88 ABL1 (0.58) ABL1BCRACVR1JAK2IGF1R
SCHEMBL4761856 0.88 ABL1 (0.56) ABL1BCRACVR1JAK2IGF1R
SCHEMBL4790726 0.86 ABL1 (0.59) ABL1BCRACVR1JAK2IGF1R
SCHEMBL5097279 0.84 ABL1 (0.60) ABL1BCRACVR1JAK2JAK3
SCHEMBL5103285 0.82 ABL1 (0.54) ABL1BCRACVR1JAK2JAK3
SCHEMBL4629187 0.82 ACVR1 (0.62) ABL1BCRACVR1JAK2JAK3

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 ABL1 55/4885BCR 1018/4885ACVR1 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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