SCHEMBL23950919

SCHEMBL23950919

Cn1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cc3c(=O)n([C@H]4CC[C@H](O)CC4)cnc23)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.39
MTOR P42345 2/20 0.39
CTSS P25774 2/20 0.38
SCD O00767 2/20 0.38
TYRO3 Q06418 2/20 0.38
MERTK Q12866 2/20 0.38
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
EPHB4 P54760 1/20 0.36
TEK Q02763 1/20 0.36
EGFR P00533 3/20 0.35
MAP3K12 Q12852 1/20 0.35
AXL P30530 1/20 0.35
NPBWR1 P48145 1/20 0.35
GSK3B P49841 1/20 0.35
PIM1 P11309 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
SCHEMBL30101847 1.00 PIK3CA (0.39) PIK3CAMTORCTSSSCDTYRO3
SCHEMBL25463143 0.95 PIK3CA (0.40) PIK3CAMTORCTSSSCDTYRO3
SCHEMBL30102054 0.95 PIK3CA (0.40) PIK3CAMTORCTSSSCDTYRO3
SCHEMBL30101984 0.90 EGFR (0.37) PIK3CAMTORCTSSSCDMERTK
SCHEMBL23925838 0.90 EGFR (0.37) PIK3CAMTORCTSSSCDMERTK
SCHEMBL23950755 0.89 PIK3CA (0.45) PIK3CAMTORTYRO3MERTKEGFR
SCHEMBL30101950 0.89 PIK3CA (0.45) PIK3CAMTORTYRO3MERTKEGFR
SCHEMBL25463600 0.89 PIK3CA (0.41) PIK3CAMTORSCDTYRO3MERTK
SCHEMBL23950712 0.89 PIK3CA (0.41) PIK3CAMTORSCDTYRO3MERTK
SCHEMBL23950744 0.87 KCNH2 (0.41) SCDMERTKFGFR2FGFR3EPHB4

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-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
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 PIK3CA 1832/4885MTOR 2868/4885CTSS 3131/4885

“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.