SCHEMBL23925838

SCHEMBL23925838

Cn1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)cc3c(=O)n(C4CCCC(O)C4)cnc23)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.37
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
FGFR2 P21802 2/20 0.36
FGFR3 P22607 2/20 0.36
PIK3CA P42336 3/20 0.35
IRAK1 P51617 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SCD O00767 1/20 0.34
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
MTOR P42345 1/20 0.34
FGFR1 P11362 1/20 0.34
PIM1 P11309 2/20 0.34
CTSS P25774 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL30101984 1.00 EGFR (0.37) EGFRAXLMERTKFGFR2FGFR3
SCHEMBL30102054 0.95 PIK3CA (0.40) EGFRAXLMERTKFGFR2FGFR3
SCHEMBL25463143 0.95 PIK3CA (0.40) EGFRAXLMERTKFGFR2FGFR3
SCHEMBL23950919 0.90 PIK3CA (0.39) EGFRAXLMERTKFGFR2FGFR3
SCHEMBL30101847 0.90 PIK3CA (0.39) EGFRAXLMERTKFGFR2FGFR3
SCHEMBL23950541 0.90 EGFR (0.41) EGFRFGFR2FGFR3PIK3CAIRAK1
SCHEMBL25463160 0.90 EGFR (0.38) EGFRAXLMERTKFGFR2FGFR3
SCHEMBL23950287 0.86 KCNH2 (0.41) AXLMERTKFGFR2FGFR3SCD
SCHEMBL23950744 0.86 KCNH2 (0.41) AXLMERTKFGFR2FGFR3SCD
SCHEMBL23925837 0.86 KCNH2 (0.41) AXLMERTKFGFR2FGFR3SCD

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 6 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
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
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 EGFR 336/4885AXL 908/4885MERTK 669/4885

“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.