SCHEMBL5094889

SCHEMBL5094889

CCn1cc(-c2ccnc(Nc3cccc(N4CCN(C)CC4)c3)n2)c(-c2ccc(NC(=O)C3CC3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 18/20 0.60
▸ JAK2 O60674 1/20 0.51
▸ CCNE1 P24864 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ FLT3 P36888 1/20 0.51

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
SCHEMBL4837560 0.91 JAK2 (0.54) ACVR1JAK2CCNE1CDK2FLT3
SCHEMBL5094827 0.85 FLT3 (0.55) JAK2CCNE1CDK2FLT3
SCHEMBL5090994 0.84 JAK2 (0.51) ACVR1JAK2CCNE1CDK2FLT3
SCHEMBL4629170 0.83 ACVR1 (0.53) ACVR1JAK2CCNE1CDK2FLT3
SCHEMBL5094718 0.83 ACVR1 (0.62) ACVR1JAK2
SCHEMBL29353435 0.83 ACVR1 (0.83) ACVR1
SCHEMBL21526401 0.83 ACVR1 (0.83) ACVR1
SCHEMBL5097217 0.82 JAK2 (0.54) JAK2CCNE1CDK2FLT3
SCHEMBL4628140 0.81 JAK2 (0.53) ACVR1JAK2CCNE1CDK2FLT3
SCHEMBL5097325 0.80 FLT3 (0.55) ACVR1JAK2CCNE1CDK2FLT3

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 1609/4885JAK2 205/4885CCNE1 159/4885

“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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