SCHEMBL25829601

SCHEMBL25829601

C[C@@H]1CN(c2c([N+](=O)[O-])c(=O)n(C)c3nc(Cl)c(Cl)cc23)[C@@H](CO)CN1C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.33
SUV39H2 Q9H5I1 2/20 0.31
NR1D1 P20393 1/20 0.31
GRM2 Q14416 1/20 0.31
NTRK1 P04629 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL25829565 0.84 KRAS (0.47)
SCHEMBL25829610 0.82 KRAS (0.36)
SCHEMBL25829409 0.79 KRAS (0.42)
SCHEMBL25829488 0.78 MAP4K1 (0.34) GPR119SUV39H2NTRK1
SCHEMBL25829503 0.77 KRAS (0.43)
SCHEMBL25829616 0.74 KRAS (0.42)
SCHEMBL21099591 0.74 GPR119 (0.37) GPR119MEN1KMT2A
SCHEMBL20807044 0.73 KRAS (0.45)
SCHEMBL25829573 0.73 KRAS (0.51)
SCHEMBL21099385 0.73 GPR119 (0.36) GPR119MEN1KMT2A

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 GPR119 1070/4885SUV39H2 2754/4885NR1D1 3496/4885

“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.