SCHEMBL21712595

SCHEMBL21712595

CC(C)C(NC(=O)O)c1nc2cc(Br)sc2c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ CDC7 O00311 6/20 0.36
▸ DBF4 Q9UBU7 6/20 0.36
▸ ROCK1 Q13464 5/20 0.36
▸ CCNE1 P24864 4/20 0.33
▸ CDK2 P24941 4/20 0.33
▸ PDE5A O76074 1/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PDE3B Q13370 2/20 0.31
▸ PDE3A Q14432 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ G6PD P11413 1/20 0.30
▸ FPR2 P25090 1/20 0.30

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
SCHEMBL21712600 0.88 CDC7 (0.37) KMT2ACDC7DBF4ROCK1CCNE1
SCHEMBL21712574 0.82 KIF11 (0.34) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL21712637 0.79 CDC7 (0.47) KMT2ACDC7DBF4ROCK1CCNE1
SCHEMBL21712641 0.79 CDC7 (0.38) KMT2ACDC7DBF4ROCK1CCNE1
SCHEMBL20572270 0.79 CDC7 (0.42) KMT2ACDC7DBF4ROCK1CCNE1
SCHEMBL20570765 0.79 CDC7 (0.40) KMT2ACDC7DBF4ROCK1CCNE1
SCHEMBL21712628 0.79 CDC7 (0.47) KMT2ACDC7DBF4ROCK1CCNE1
SCHEMBL21712597 0.79 CDC7 (0.38) KMT2ACDC7DBF4ROCK1CCNE1
SCHEMBL21712666 0.78 CDC7 (0.35) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL14343439 0.77 CDC7 (0.37) CDC7DBF4ROCK1CCNE1CDK2

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 KMT2A 2609/4885CDC7 1/4885DBF4 1421/4885
US-10745410-B2 Substituted [5,6]cyclic-4(3H)-pyrimidinones as anticancer agents CDC7, CDK7, CDK17 KMT2A 2609/4885CDC7 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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