SCHEMBL29344952

SCHEMBL29344952

CN(C)CC1(COc2nc(N3CC4NC(C3)C3CC43)c3cc(Cl)c(-c4cc(O)cc5ccccc45)c(F)c3n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.72

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
SCHEMBL30998619 0.91 KRAS (0.72) KRAS
SCHEMBL30998396 0.91 KRAS (0.72) KRAS
SCHEMBL30998571 0.91 KRAS (0.72) KRAS
SCHEMBL29347068 0.91 KRAS (0.72) KRAS
SCHEMBL29346544 0.91 KRAS (0.72) KRAS
SCHEMBL29344936 0.91 KRAS (0.72) KRAS
SCHEMBL23409267 0.91 KRAS (0.87) KRAS
SCHEMBL26964838 0.91 KRAS (0.87) KRAS
SCHEMBL29595093 0.91 KRAS (0.87) KRAS
SCHEMBL29344943 0.90 KRAS (0.71) 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — 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-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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