SCHEMBL31209121

SCHEMBL31209121

CN(C)[C@H]1CCN(c2ncc3c4c(c(-c5cccc6sc(NC(=O)OC(C)(C)C)c(C#N)c56)c(F)c3n2)COC4)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.34
WDR5 P61964 7/20 0.32
KRAS P01116 1/20 0.31
ALK Q9UM73 1/20 0.31
CREBBP Q92793 1/20 0.30
SOS1 Q07889 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
SCHEMBL31209934 0.91 BRAF (0.38) BRAFWDR5
SCHEMBL31209862 0.87 BRAF (0.37) BRAFWDR5
SCHEMBL31209085 0.87 BRAF (0.34) BRAFWDR5
SCHEMBL31208665 0.86 WDR5 (0.36) BRAFWDR5KRAS
SCHEMBL31209747 0.86 WDR5 (0.36) BRAFWDR5KRAS
SCHEMBL31209915 0.86 BRAF (0.34) BRAFWDR5
SCHEMBL31208949 0.86 BRAF (0.34) BRAFWDR5
SCHEMBL31209342 0.85 BRAF (0.33) BRAFWDR5
SCHEMBL31209426 0.85 WDR5 (0.33) BRAFWDR5KRAS
SCHEMBL31208629 0.84 PTPN11 (0.35) KRASCREBBPSOS1

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-20240368193-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-11-07 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-20240368193-A1 KRAS INHIBITORS KRAS, NRAS, HRAS BRAF 10/4885WDR5 1928/4885KRAS 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.