SCHEMBL21729525

SCHEMBL21729525

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 6/20 0.40
▸ CDC7 O00311 7/20 0.36
▸ DBF4 Q9UBU7 7/20 0.36
▸ ROCK1 Q13464 6/20 0.36
▸ CCNE1 P24864 5/20 0.34
▸ CDK2 P24941 5/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ ABCB1 P08183 2/20 0.32
▸ TRPA1 O75762 1/20 0.32

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 0.92 AAK1 (0.41) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL21729548 0.92 AAK1 (0.41) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL21712590 0.88 CDC7 (0.42) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL28449437 0.88 AAK1 (0.45) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL21729494 0.88 AAK1 (0.45) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL28453571 0.87 CDC7 (0.37) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL21729502 0.87 CDC7 (0.37) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL21729496 0.86 AAK1 (0.51) AAK1CDC7DBF4ROCK1CCNE1
SCHEMBL21729557 0.83 AAK1 (0.41) AAK1CDC7DBF4ROCK1RAB9A
SCHEMBL28455399 0.83 AAK1 (0.41) AAK1CDC7DBF4ROCK1RAB9A

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.

Send feedback