SCHEMBL5094718

SCHEMBL5094718

CCn1cc(-c2ccnc(Nc3cccc(CCN4CCOCC4)c3)n2)c(-c2ccc(NC(=O)C3CC3)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 12/20 0.62
▸ ABL1 P00519 1/20 0.55
▸ BCR P11274 1/20 0.55
▸ AURKA O14965 6/20 0.50
▸ AURKB Q96GD4 6/20 0.50
▸ JAK2 O60674 1/20 0.47
▸ JAK3 P52333 1/20 0.47

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
SCHEMBL4629853 0.93 ABL1 (0.55) ACVR1ABL1BCRAURKAAURKB
SCHEMBL5097359 0.93 ABL1 (0.53) ACVR1ABL1BCRAURKAAURKB
SCHEMBL5097306 0.93 ABL1 (0.54) ACVR1ABL1BCRAURKAAURKB
SCHEMBL4628127 0.93 ABL1 (0.57) ACVR1ABL1BCRJAK2JAK3
SCHEMBL5097273 0.92 ABL1 (0.52) ACVR1ABL1BCRJAK2JAK3
SCHEMBL5097387 0.92 ABL1 (0.53) ACVR1ABL1BCRAURKAAURKB
SCHEMBL4792973 0.91 ACVR1 (0.60) ACVR1ABL1BCRAURKAAURKB
SCHEMBL5096909 0.91 ABL1 (0.55) ACVR1ABL1BCRJAK2JAK3
SCHEMBL5096763 0.90 ABL1 (0.52) ACVR1ABL1BCRAURKAAURKB
SCHEMBL4658153 0.90 ABL1 (0.52) ACVR1ABL1BCRAURKAAURKB

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 ACVR1 1609/4885ABL1 55/4885BCR 1018/4885

“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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