SCHEMBL5094881

SCHEMBL5094881

CS(=O)(=O)n1cc(-c2ccnc(Nc3cccc(CCN4CCOCC4)c3)n2)c(-c2ccc(NC(=O)C3CC3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.54
▸ BCR P11274 1/20 0.54
▸ JAK2 O60674 12/20 0.51
▸ JAK3 P52333 9/20 0.51
▸ ACVR1 Q04771 1/20 0.48
▸ CDK1 P06493 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ HDAC1 Q13547 2/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ NCOR1 O75376 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ABL2 P42684 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ CCNB2 O95067 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41

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
SCHEMBL4628127 0.91 ABL1 (0.57) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5094718 0.90 ACVR1 (0.62) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5096909 0.90 ABL1 (0.55) ABL1BCRJAK2JAK3ACVR1
SCHEMBL4629853 0.88 ABL1 (0.55) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5097359 0.88 ABL1 (0.53) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5103600 0.88 ABL1 (0.53) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5097306 0.88 ABL1 (0.54) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5097273 0.87 ABL1 (0.52) ABL1BCRJAK2JAK3ACVR1
SCHEMBL5097387 0.86 ABL1 (0.53) ABL1BCRJAK2JAK3ACVR1
SCHEMBL4658153 0.85 ABL1 (0.52) 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 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 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.

Send feedback