SCHEMBL33525863

SCHEMBL33525863

CN(C)[C@H]1CCN(c2nc(O)c3c4c(c(-c5c(F)ccc6sc(NC(=O)OC(C)(C)C)c(C#N)c56)c(Cl)c3n2)COC4)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.33
WDR5 P61964 2/20 0.32
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL31242523 0.94 BRAF (0.33) BRAFWDR5
SCHEMBL31209862 0.90 BRAF (0.37) BRAFWDR5MEN1LMNAPOLB
SCHEMBL31242536 0.90 BRAF (0.33) BRAFWDR5MEN1LMNAPOLB
SCHEMBL31209966 0.89 BRAF (0.33) BRAFWDR5
SCHEMBL33525585 0.88 BRAF (0.30) BRAF
SCHEMBL31242736 0.87 BRAF (0.31) BRAF
SCHEMBL33525678 0.86
SCHEMBL33527053 0.86
SCHEMBL33525538 0.86
SCHEMBL31209934 0.85 BRAF (0.38) BRAFWDR5

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-12600733-B2 KRAS inhibitors ELI LILLY AND COMPANY (US) 2026-04-14 US disclosed
US-20260092075-A1 KRAS INHIBITORS LILLY CO ELI (US) 2026-04-02 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 (2 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-12600733-B2 KRAS inhibitors KRAS, NRAS, HRAS BRAF 10/4885WDR5 2613/4885MEN1 404/4885
US-20260092075-A1 KRAS INHIBITORS KRAS, NRAS, HRAS BRAF 10/4885WDR5 3153/4885MEN1 511/4885

“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.