SCHEMBL25829750

SCHEMBL25829750

COc1cccc(F)c1-c1c(F)cc2c(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3CO)c([N+](=O)[O-])c(=O)n(-c3c(C(C)C)ncnc3C(C)C)c2c1F

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KRAS P01116 18/20 0.37
MAP4K1 Q92918 2/20 0.32
NTRK1 P04629 1/20 0.32
MAP4K2 Q12851 1/20 0.32
STK4 Q13043 1/20 0.32

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
SCHEMBL25829462 0.93 KRAS (0.41) KRAS
SCHEMBL25829761 0.92 KRAS (0.37) KRAS
SCHEMBL25829723 0.88 KRAS (0.42) KRAS
SCHEMBL25829676 0.88 KRAS (0.41) KRAS
SCHEMBL25829764 0.85 KRAS (0.41) KRAS
SCHEMBL25830206 0.84 KRAS (0.39) KRAS
SCHEMBL29828446 0.83 KRAS (0.49) KRAS
SCHEMBL29828479 0.83 KRAS (0.49) KRAS
SCHEMBL25829529 0.83 KRAS (0.49) KRAS
SCHEMBL23136633 0.83 KRAS (0.38) 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 1/4885MAP4K1 212/4885NTRK1 699/4885

“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.