SCHEMBL23950740

SCHEMBL23950740

CC(CNC(=O)OC(C)(C)C)n1cnc2c(I)nc(Cl)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
SERPINE1 P05121 1/20 0.31
BRD4 O60885 2/20 0.31
DDR1 Q08345 1/20 0.31
EGFR P00533 1/20 0.31
CPB2 Q96IY4 1/20 0.31
USP7 Q93009 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
SCHEMBL23950982 0.81 HTT (0.37) PCSK9CCNE2CCNA2CCNE1CDK2
SCHEMBL23390495 0.68 USP5 (0.32) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL23390493 0.68 USP5 (0.32) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL24976553 0.67 PCSK9 (0.42) STK17BSTK17APCSK9ACACBACACA
SCHEMBL24976904 0.67 PCSK9 (0.42) STK17BSTK17APCSK9ACACBACACA
SCHEMBL23390270 0.66
SCHEMBL23390268 0.66
SCHEMBL3008425 0.66 GAA (0.36) PCSK9SERPINE1CPB2
SCHEMBL3008432 0.66 GAA (0.36) PCSK9SERPINE1CPB2
SCHEMBL23416869 0.65 HTT (0.33) CCNE1CDK2NPSR1

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-20230147257-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-11 US disclosed
US-20230147257-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-11 US disclosed
EP-4136088-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS Dong-A ST Co., Ltd. (KR) 2023-02-22 EP disclosed
WO-2021210970-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2021-10-21 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 (1 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-20230147257-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, AIPL1 STK17B 2101/4885STK17A 1876/4885PCSK9 3090/4885

“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.