SCHEMBL29343992

SCHEMBL29343992

COc1ccc(COc2nc(OCC3(CN(C)C)CC3)nc3c(F)c(Br)c(Cl)cc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.36
▸ CNR1 P21554 3/20 0.31
▸ CNR2 P34972 2/20 0.31

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
SCHEMBL29343991 0.83 KRAS (0.46) KRASCNR1CNR2
SCHEMBL29937296 0.81 KRAS (0.45) KRASCNR1CNR2
SCHEMBL29936828 0.79 CNR2 (0.38) CNR1CNR2
SCHEMBL29343993 0.79 CNR2 (0.38) CNR1CNR2
SCHEMBL25337259 0.73 KRAS (0.40) KRAS
SCHEMBL29344388 0.73 KRAS (0.50) KRAS
SCHEMBL29343955 0.70 CNR2 (0.38) CNR1CNR2
SCHEMBL30429806 0.70 KRAS (0.46) KRAS
SCHEMBL25549332 0.70 KRAS (0.46) KRAS
SCHEMBL23409331 0.69 KRAS (0.48) 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 1/4885CNR1 4066/4885CNR2 4252/4885

“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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