SCHEMBL23950766

SCHEMBL23950766

CCC(CO)n1cnc2c(-c3cccnc3)nc(-c3ccc(C(F)(F)F)cc3)cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
TOP1 P11387 2/20 0.37
PIM1 P11309 1/20 0.36
ADORA1 P30542 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ADORA2A P29274 1/20 0.35
AHR P35869 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSPO P30536 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL23925586 0.95 EGLN1 (0.39) PTGS1PTGS2EGLN1TOP1PIM1
SCHEMBL23390259 0.90 EGLN1 (0.40) PTGS1PTGS2EGLN1TOP1PIM1
SCHEMBL30101937 0.90 EGLN1 (0.40) PTGS1PTGS2EGLN1TOP1PIM1
SCHEMBL23390257 0.90 EGLN1 (0.40) PTGS1PTGS2EGLN1TOP1PIM1
SCHEMBL23950588 0.89 PSD (0.41) PTGS1PTGS2ADORA1ADORA2ACYP2E1
SCHEMBL23950645 0.88 EGLN1 (0.39) PTGS1PTGS2EGLN1TOP1PIM1
SCHEMBL23925513 0.85 TYK2 (0.40)
SCHEMBL23950999 0.85 PIM1 (0.37) PTGS1PTGS2EGLN1TOP1PIM1
SCHEMBL23925697 0.85 USP5 (0.40) PTGS1PTGS2EGLN1TOP1PIM1
SCHEMBL23950761 0.83 PSD (0.41) PTGS1PTGS2PIM1ADORA1CYP11B1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115443276-B Pyridopyrimidinone derivatives and their use as arene receptor modulators 东亚ST株式会社 2025-04-18 CN claimed
CN-115443276-A Pyridopyrimidinone derivatives and their use as modulators of aromatic hydrocarbon receptors 东亚ST株式会社 2022-12-06 CN claimed
CN-115443276-B Pyridopyrimidinone derivatives and their use as arene receptor modulators 东亚ST株式会社 2025-04-18 CN 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
US-20230147257-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-11 US disclosed
CN-115443276-A Pyridopyrimidinone derivatives and their use as modulators of aromatic hydrocarbon receptors 东亚ST株式会社 2022-12-06 CN 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
US-20170037410-A1 COMPOSITIONS FOR MODULATING SOD-1 EXPRESSION IONIS PHARMACEUTICALS, INC. (US) 2017-02-09 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 (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 PTGS1 487/4885PTGS2 610/4885EGLN1 201/4885

“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.