SCHEMBL24558478

SCHEMBL24558478

CC(C)(C)OC(=O)N1CCN2Cc3cc(CO)c(Br)c(Cl)c3OC[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KRAS P01116 18/20 0.41
SUV39H2 Q9H5I1 1/20 0.35
ESR2 Q92731 1/20 0.33

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
SCHEMBL29693197 1.00 KRAS (0.41) KRASSUV39H2ESR2
SCHEMBL24558406 0.91 KRAS (0.41) KRASESR2
SCHEMBL29693225 0.91 KRAS (0.41) KRASESR2
SCHEMBL29693103 0.88 KRAS (0.44) KRASESR2
SCHEMBL24558238 0.88 KRAS (0.44) KRASESR2
SCHEMBL24558441 0.87 KRAS (0.49) KRAS
SCHEMBL29693199 0.86 KRAS (0.42) KRASESR2
SCHEMBL24558479 0.84 KRAS (0.50) KRASESR2
SCHEMBL29693108 0.84 KRAS (0.50) KRASESR2
SCHEMBL24558395 0.84 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3935060-B1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2023-11-15 EP disclosed
US-20220204527-A1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS ASTRAZENECA UK LIMITED (GB) 2022-06-30 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-20220204527-A1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS MCL1, TP53, CCNA2 KRAS 89/4885SUV39H2 2731/4885ESR2 1424/4885

“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.