SCHEMBL4629800

SCHEMBL4629800

CCNC(=O)Nc1ccc(-c2c(-c3ccnc(Nc4cccc(CCN5CCOCC5)c4)n3)cnn2CC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.57
▸ BCR P11274 1/20 0.57
▸ JAK2 O60674 3/20 0.48
▸ JAK3 P52333 2/20 0.48
▸ ACVR1 Q04771 1/20 0.47
▸ EGFR P00533 2/20 0.45
▸ AURKA O14965 3/20 0.44
▸ AURKB Q96GD4 3/20 0.44
▸ KDR P35968 3/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ KCNH2 Q12809 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
SCHEMBL4629324 0.95 ABL1 (0.56) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5103208 0.91 ABL1 (0.55) ABL1BCRJAK2JAK3ACVR1
SCHEMBL4762065 0.91 ABL1 (0.57) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5094548 0.90 ABL1 (0.57) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5103598 0.87 ABL1 (0.62) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5097241 0.86 ABL1 (0.57) ABL1BCRJAK2JAK3ACVR1
SCHEMBL4763228 0.85 ACVR1 (0.62) ABL1BCRJAK2JAK3ACVR1
SCHEMBL4629173 0.85 ABL1 (0.57) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5094702 0.84 ABL1 (0.56) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5103286 0.83 ABL1 (0.55) ABL1BCRJAK2JAK3ACVR1

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 1018/4885JAK2 205/4885

“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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