SCHEMBL33525618

SCHEMBL33525618

CCSc1nc(O)c2c3c(c(-c4ccc(F)c5sc(NC(=O)OC(C)(C)C)nc45)c(F)c2n1)COC3

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.31
NPC1 O15118 2/20 0.31
CASP3 P42574 2/20 0.31
RAB9A P51151 2/20 0.31
SENP7 Q9BQF6 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SENP8 Q96LD8 1/20 0.31
ADORA2A P29274 2/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 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
SCHEMBL33525861 0.93 LCK (0.33) BRAFNPC1CASP3RAB9ASENP7
SCHEMBL33526358 0.87 BRAF (0.31) BRAFADORA2AADORA3ADORA2BADORA1
SCHEMBL33526115 0.86 LCK (0.35) BRAFNPC1CASP3RAB9ASENP7
SCHEMBL31123157 0.85 ALDH1A1 (0.32)
SCHEMBL33525815 0.82
SCHEMBL33526318 0.82
SCHEMBL33525771 0.82
SCHEMBL33526346 0.81
SCHEMBL31085657 0.81
SCHEMBL33525500 0.80 BRAF (0.32) BRAFADORA2AADORA3ADORA2BADORA1

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 10/4885NPC1 1188/4885CASP3 1408/4885
US-20260092075-A1 KRAS INHIBITORS KRAS, NRAS, HRAS BRAF 10/4885NPC1 1105/4885CASP3 1428/4885

“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.