SCHEMBL25549657

SCHEMBL25549657

CC(C)COc1nc(OC[C@@]23CCCN2C[C@H](F)C3)nc2c(F)cc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.47

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
SCHEMBL27102260 0.93 KRAS (0.46) KRAS
SCHEMBL25550254 0.91 KRAS (0.47) KRAS
SCHEMBL25240790 0.87 KRAS (0.47) KRAS
SCHEMBL30539018 0.87 KRAS (0.47) KRAS
SCHEMBL25550182 0.85 KRAS (0.52) KRAS
SCHEMBL29937188 0.83 KRAS (0.50) KRAS
SCHEMBL29936919 0.80 KRAS (0.46) KRAS
Hydrochloric Acid SCHEMBL30699364 0.80 KRAS (0.46) KRAS
SCHEMBL25549719 0.79 KRAS (0.52) KRAS
SCHEMBL29344572 0.79 KRAS (0.54) 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
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — US disclosed
WO-2023097227-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS MERCK SHARP & DOHME LLC (US) 2023-06-01 — — WO 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS KRAS 1/4885

“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.

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