SCHEMBL21712663

SCHEMBL21712663

CC(C)[C@H](N)c1nc2cc(-c3c[nH]cn3)sc2c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 15/20 0.39
▸ DBF4 Q9UBU7 15/20 0.39
▸ ROCK1 Q13464 14/20 0.39
▸ CCNE1 P24864 11/20 0.35
▸ CDK2 P24941 11/20 0.35
▸ RAB9A P51151 5/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 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
SCHEMBL21712665 1.00 CDC7 (0.39) CDC7DBF4ROCK1CCNE1CDK2
Hydrochloric Acid SCHEMBL21712584 0.99 CDC7 (0.38) CDC7DBF4ROCK1CCNE1CDK2
Hydrochloric Acid SCHEMBL21712585 0.99 CDC7 (0.38) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL21712641 0.81 CDC7 (0.38) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL21712582 0.80 CDC7 (0.46) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL21712581 0.80 CDC7 (0.46) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL21712642 0.80 CDC7 (0.44) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL21712622 0.80 CDC7 (0.39) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL21712644 0.80 CDC7 (0.43) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL21712640 0.80 CDC7 (0.43) 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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