SCHEMBL23950755

SCHEMBL23950755

Cn1cc(-c2cc3c(=O)n([C@H]4CC[C@H](O)CC4)cnc3c(-c3cnn(C)c3)n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.45
MTOR P42345 1/20 0.45
EGFR P00533 8/20 0.40
PIM1 P11309 4/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
MAP4K1 Q92918 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
IRAK1 P51617 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
SCHEMBL30101950 1.00 PIK3CA (0.45) PIK3CAMTOREGFRPIM1TYRO3
SCHEMBL23950712 0.92 PIK3CA (0.41) PIK3CAMTOREGFRPIM1TYRO3
SCHEMBL25463600 0.92 PIK3CA (0.41) PIK3CAMTOREGFRPIM1TYRO3
SCHEMBL23950919 0.89 PIK3CA (0.39) PIK3CAMTOREGFRPIM1TYRO3
SCHEMBL30101847 0.89 PIK3CA (0.39) PIK3CAMTOREGFRPIM1TYRO3
SCHEMBL23950541 0.88 EGFR (0.41) PIK3CAMTOREGFRPIM1IRAK1
SCHEMBL23925737 0.86 PIK3CA (0.41) PIK3CAMTOREGFRTYRO3MERTK
SCHEMBL25463142 0.86 PIK3CA (0.41) PIK3CAMTOREGFRTYRO3MERTK
SCHEMBL25463143 0.84 PIK3CA (0.40) PIK3CAMTOREGFRTYRO3MERTK
SCHEMBL30102054 0.84 PIK3CA (0.40) PIK3CAMTOREGFRTYRO3MERTK

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 2868/4885EGFR 336/4885

“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.