SCHEMBL25830213

SCHEMBL25830213

COc1cccc(F)c1-c1c(Cl)cc2c3c(c(=O)n(-c4c(C)ncnc4C)c2c1F)N(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN31

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KRAS P01116 8/20 0.37
EGFR P00533 7/20 0.35
SRC P12931 1/20 0.35
DRD2 P14416 1/20 0.35
KDR P35968 1/20 0.35
TNF P01375 3/20 0.34
LITAF Q99732 3/20 0.34
ERBB2 P04626 1/20 0.32
NTRK1 P04629 1/20 0.31
MAP4K1 Q92918 1/20 0.31
SCN9A Q15858 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
SCHEMBL24691792 0.95 KRAS (0.41) KRAS
SCHEMBL24692579 0.89 KRAS (0.44) KRAS
SCHEMBL24692595 0.87 KRAS (0.42) KRAS
SCHEMBL23136633 0.86 KRAS (0.38) KRAS
SCHEMBL29907484 0.85 KRAS (0.47) KRAS
SCHEMBL24692782 0.85 KRAS (0.51) KRAS
SCHEMBL23137565 0.85 KRAS (0.51) KRAS
SCHEMBL25830209 0.84 KRAS (0.41) KRAS
SCHEMBL25830225 0.83 KRAS (0.36) KRASNTRK1MAP4K1
SCHEMBL25829767 0.83 KRAS (0.43) KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 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-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 KRAS 1/4885EGFR 269/4885SRC 614/4885

“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.