SCHEMBL5096763

SCHEMBL5096763

O=C(Nc1ccc(-c2nn(CC(=O)N3CCCC3)cc2-c2ccnc(Nc3cccc(CCN4CCOCC4)c3)n2)cc1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.52
▸ BCR P11274 2/20 0.52
▸ ACVR1 Q04771 4/20 0.50
▸ AURKA O14965 3/20 0.46
▸ AURKB Q96GD4 3/20 0.46
▸ JAK2 O60674 7/20 0.43
▸ JAK3 P52333 5/20 0.43
▸ TBK1 Q9UHD2 2/20 0.40
▸ PDGFRB P09619 3/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ SRC P12931 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ FLT4 P35916 1/20 0.40

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
SCHEMBL5094718 0.90 ACVR1 (0.62) ABL1BCRACVR1AURKAAURKB
SCHEMBL4629853 0.90 ABL1 (0.55) ABL1BCRACVR1AURKAAURKB
SCHEMBL5097306 0.90 ABL1 (0.54) ABL1BCRACVR1AURKAAURKB
SCHEMBL5097359 0.89 ABL1 (0.53) ABL1BCRACVR1AURKAAURKB
SCHEMBL5097387 0.89 ABL1 (0.53) ABL1BCRACVR1AURKAAURKB
SCHEMBL4628127 0.88 ABL1 (0.57) ABL1BCRACVR1JAK2JAK3
SCHEMBL5097273 0.88 ABL1 (0.52) ABL1BCRACVR1JAK2JAK3
SCHEMBL4629179 0.88 ABL1 (0.55) ABL1BCRACVR1AURKAAURKB
SCHEMBL5090953 0.88 ABL1 (0.52) ABL1BCRACVR1AURKAAURKB
SCHEMBL4658153 0.88 ABL1 (0.52) ABL1BCRACVR1AURKAAURKB

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 1018/4885ACVR1 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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