SCHEMBL31085802

SCHEMBL31085802

CC(C)(C)OC(=O)Nc1sc2c(Cl)cnc(Br)c2c1C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.34
ATR Q13535 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
MAPKAPK2 P49137 2/20 0.33
ALDH1A1 P00352 5/20 0.32
NPC1 O15118 3/20 0.32
TP53 P04637 3/20 0.32
RAB9A P51151 3/20 0.32
SYK P43405 1/20 0.32
JAK3 P52333 1/20 0.32
BTK Q06187 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL31491061 0.87 EGLN2 (0.35) LCKALDH1A1NPC1TP53RAB9A
SCHEMBL30776330 0.80 LCK (0.37) LCKATRMAPKAPK2ALDH1A1NPC1
SCHEMBL26530970 0.80 LCK (0.37) LCKATRMAPKAPK2ALDH1A1NPC1
SCHEMBL31085630 0.79 LCK (0.35) LCKATRMAPKAPK2ALDH1A1NPC1
SCHEMBL30587220 0.79 ATR (0.35) LCKATRMAPKAPK2ALDH1A1NPC1
SCHEMBL26119259 0.79 ATR (0.35) LCKATRMAPKAPK2ALDH1A1NPC1
SCHEMBL25643117 0.75 ALDH1A1 (0.38) ALDH1A1NPC1TP53MAPTHSD17B10
SCHEMBL31470308 0.75 CA1 (0.34) LCKALDH1A1NPC1RAB9AEGLN2
SCHEMBL24717559 0.75 ALDH1A1 (0.36) LCKALDH1A1NPC1RAB9AMAPT
SCHEMBL31085770 0.74 EGLN2 (0.35) LCKATRMAPKAPK2SYKJAK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688792-A1 KRAS INHIBITORS Eli Lilly and Company (US) 2026-02-11 EP disclosed
US-20240368193-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-11-07 US disclosed
WO-2024206766-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2024-10-03 WO 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 LCK 601/4885ATR 945/4885STK17B 359/4885

“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.