SCHEMBL21712640

SCHEMBL21712640

CC(C)[C@H](N)c1nc2cc(-c3cn[nH]n3)sc2c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 19/20 0.43
▸ DBF4 Q9UBU7 19/20 0.43
▸ ROCK1 Q13464 18/20 0.43
▸ CCNE1 P24864 16/20 0.40
▸ CDK2 P24941 16/20 0.40
▸ XDH P47989 1/20 0.36

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
SCHEMBL21712644 1.00 CDC7 (0.43) CDC7DBF4ROCK1CCNE1CDK2
Hydrochloric Acid SCHEMBL20572340 0.99 CDC7 (0.42) CDC7DBF4ROCK1CCNE1CDK2
Hydrochloric Acid SCHEMBL20572339 0.99 CDC7 (0.42) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL21712622 0.82 CDC7 (0.39) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL21712624 0.82 CDC7 (0.39) CDC7DBF4ROCK1CCNE1CDK2
Hydrochloric Acid SCHEMBL21712627 0.81 CDC7 (0.39) CDC7DBF4ROCK1CCNE1CDK2
Hydrochloric Acid SCHEMBL21712629 0.81 CDC7 (0.39) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL21712665 0.80 CDC7 (0.39) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL21712663 0.80 CDC7 (0.39) CDC7DBF4ROCK1CCNE1CDK2
Hydrochloric Acid SCHEMBL21712585 0.79 CDC7 (0.38) 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 4 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 claimed
US-20200055867-A1 SUBSTITUTED [5,6]CYCLIC-4(3H)-PYRIMIDINONES AS ANTICANCER AGENTS ZENJI RESEARCH LABORATORIES (CN) 2020-02-20 — — US claimed
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 CDC7 1/4885DBF4 1421/4885ROCK1 1409/4885
US-10745410-B2 Substituted [5,6]cyclic-4(3H)-pyrimidinones as anticancer agents CDC7, CDK7, CDK17 CDC7 1/4885DBF4 1421/4885ROCK1 1409/4885

“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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