SCHEMBL21729496

SCHEMBL21729496

CC(C)(C)OC(=O)N[C@H](c1nc2cc(-c3ccncc3F)sc2c(=O)[nH]1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.51
▸ CDC7 O00311 15/20 0.35
▸ DBF4 Q9UBU7 15/20 0.35
▸ ROCK1 Q13464 14/20 0.35
▸ CCNE1 P24864 11/20 0.35
▸ CDK2 P24941 11/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ DAPK1 P53355 1/20 0.33
▸ CDK3 Q00526 1/20 0.33
▸ DMPK Q09013 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ HIPK4 Q8NE63 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ AKT1 P31749 1/20 0.33

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
SCHEMBL28453574 0.88 AAK1 (0.41) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL21729548 0.88 AAK1 (0.41) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL21729525 0.86 AAK1 (0.40) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL21729494 0.85 AAK1 (0.45) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL28449437 0.85 AAK1 (0.45) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL21712661 0.79 CDC7 (0.41) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL21712660 0.79 CDC7 (0.41) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL30672546 0.79 CDC7 (0.41) AAK1CDC7DBF4ROCK1CCNE1
Hydrochloric Acid SCHEMBL20572331 0.78 CDC7 (0.40) AAK1CDC7DBF4ROCK1CCNE1
Hydrochloric Acid SCHEMBL20572328 0.78 CDC7 (0.40) AAK1CDC7DBF4ROCK1CCNE1

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-10745410-B2 Substituted [5,6]cyclic-4(3H)-pyrimidinones as anticancer agents ZENJI RESEARCH LABORATORIES (CN) 2020-08-18 — — US disclosed
US-20200055867-A1 SUBSTITUTED [5,6]CYCLIC-4(3H)-PYRIMIDINONES AS ANTICANCER AGENTS ZENJI RESEARCH LABORATORIES (CN) 2020-02-20 — — 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 (2 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-20200055867-A1 SUBSTITUTED [5,6]CYCLIC-4(3H)-PYRIMIDINONES AS ANTICANCER AGENTS CDC7, CDK7, CDK17 AAK1 910/4885CDC7 1/4885DBF4 1421/4885
US-10745410-B2 Substituted [5,6]cyclic-4(3H)-pyrimidinones as anticancer agents CDC7, CDK7, CDK17 AAK1 910/4885CDC7 1/4885DBF4 1421/4885

“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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