SCHEMBL21729557

SCHEMBL21729557

CC(C)[C@H](NC(=O)OC(C)(C)C)c1nc2cc(-c3ccncn3)sc2c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 7/20 0.41
▸ CDC7 O00311 3/20 0.37
▸ DBF4 Q9UBU7 3/20 0.37
▸ ABCB1 P08183 5/20 0.33
▸ ROCK1 Q13464 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL28455399 1.00 AAK1 (0.41) AAK1CDC7DBF4ABCB1ROCK1
SCHEMBL21712662 0.87 CDC7 (0.43) CDC7DBF4ROCK1KMT2AADORA3
SCHEMBL21729584 0.85 AAK1 (0.37) AAK1CDC7DBF4ABCB1ROCK1
SCHEMBL21729495 0.84 CDC7 (0.43) AAK1CDC7DBF4ABCB1ROCK1
SCHEMBL28453787 0.84 CDC7 (0.43) AAK1CDC7DBF4ABCB1ROCK1
SCHEMBL28457041 0.84 AAK1 (0.42) AAK1CDC7DBF4ABCB1ROCK1
SCHEMBL21729493 0.84 AAK1 (0.42) AAK1CDC7DBF4ABCB1ROCK1
SCHEMBL21729559 0.84 AAK1 (0.35) AAK1CDC7DBF4ABCB1ROCK1
SCHEMBL21729525 0.83 AAK1 (0.40) AAK1CDC7DBF4ABCB1ROCK1
SCHEMBL21729500 0.82 AAK1 (0.42) AAK1CDC7DBF4ABCB1ROCK1

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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