SCHEMBL20572338

SCHEMBL20572338

CCC(NC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)sc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.46
CTSK P43235 7/20 0.46
AAK1 Q2M2I8 5/20 0.46
RAF1 P04049 5/20 0.40
MAPK14 Q16539 4/20 0.40
CTSB P07858 2/20 0.39
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
CTSL P07711 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
SCHEMBL20572337 1.00 CTSS (0.46) CTSSCTSKAAK1RAF1MAPK14
SCHEMBL28449432 0.90 CTSS (0.47) CTSSCTSKAAK1CTSBCTSL
SCHEMBL21712650 0.83 CTSS (0.47) CTSSCTSKAAK1RAF1MAPK14
SCHEMBL21712651 0.83 CTSS (0.47) CTSSCTSKAAK1RAF1MAPK14
SCHEMBL101455 0.82 RAF1 (0.42) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL21712631 0.73 CTSS (0.48) CTSSCTSKAAK1
SCHEMBL21712632 0.73 CTSS (0.48) CTSSCTSKAAK1
SCHEMBL21712639 0.73 AAK1 (0.42) AAK1RAF1MAPK14MAPK13MAPK12
SCHEMBL21712638 0.73 AAK1 (0.42) AAK1RAF1MAPK14MAPK13MAPK12
SCHEMBL28448428 0.72 CTSS (0.44) CTSSCTSKAAK1

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 3 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
WO-2018217439-A1 SUBSTITUTED [5,6]CYCLIC-4(3H)-PYRIMIDINONES AS ANTICANCER AGENTS ZHANG HAI JUN (US) 2018-11-29 WO 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 CTSS 3106/4885CTSK 1816/4885AAK1 910/4885
US-10745410-B2 Substituted [5,6]cyclic-4(3H)-pyrimidinones as anticancer agents CDC7, CDK7, CDK17 CTSS 3106/4885CTSK 1816/4885AAK1 910/4885

“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.