SCHEMBL25829634

SCHEMBL25829634

CC(C)c1ccccc1-n1c(=O)c([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c2cc(F)c(Cl)nc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KRAS P01116 15/20 0.40
PRKCQ Q04759 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN9A Q15858 1/20 0.32
BTK Q06187 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
SCHEMBL25829409 0.90 KRAS (0.42) KRAS
SCHEMBL25829638 0.86 KRAS (0.38) KRASBTK
SCHEMBL25829616 0.85 KRAS (0.42) KRAS
SCHEMBL25829692 0.82 KRAS (0.38) KRAS
SCHEMBL25829532 0.81 KRAS (0.41) KRAS
SCHEMBL25829411 0.79 KRAS (0.39) KRAS
SCHEMBL30128086 0.77 KRAS (0.63) KRAS
SCHEMBL28907105 0.77 KRAS (0.63) KRAS
SCHEMBL28907108 0.77 KRAS (0.63) KRAS
SCHEMBL25829428 0.77 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 1/4885PRKCQ 1200/4885HDAC6 4195/4885

“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.