SCHEMBL26530944

SCHEMBL26530944

CC(C)(C)OC(=O)Nc1sc2ccnc(Cl)c2c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.46
LCK P06239 3/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP17A1 P05093 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
TP53 P04637 2/20 0.33
SYK P43405 1/20 0.33
METAP1 P53582 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL31278566 1.00 ATR (0.46) ATRLCKALDH1A1CYP17A1MAPT
SCHEMBL30587207 0.91 ATR (0.39) ATRLCKALDH1A1CYP17A1MAPT
SCHEMBL26117868 0.82 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMAPK1TP53
SCHEMBL30776330 0.79 LCK (0.37) ATRLCKALDH1A1MAPTKDM4E
SCHEMBL26530970 0.79 LCK (0.37) ATRLCKALDH1A1MAPTKDM4E
SCHEMBL26119259 0.78 ATR (0.35) ATRLCKALDH1A1MAPTKDM4E
SCHEMBL30587220 0.78 ATR (0.35) ATRLCKALDH1A1MAPTKDM4E
SCHEMBL25639711 0.78 ATR (0.37) ATRLCKALDH1A1CYP17A1MAPT
SCHEMBL23496898 0.77 LCK (0.39) LCKALDH1A1MAPTKDM4EMAPK1
SCHEMBL29813129 0.77 LCK (0.39) LCKALDH1A1MAPTKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289830-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2025-09-18 US disclosed
US-12351591-B2 KRas inhibitors ELI LILLY AND COMPANY (US) 2025-07-08 US disclosed
EP-4499233-A1 KRAS INHIBITORS Eli Lilly and Company (US) 2025-02-05 EP disclosed
US-20240043451-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-02-08 US disclosed
WO-2023183585-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-09-28 WO disclosed
WO-2023183585-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-09-28 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 (3 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-20240043451-A1 KRAS INHIBITORS KRAS, NRAS, HRAS ATR 1005/4885LCK 1059/4885ALDH1A1 1852/4885
US-12351591-B2 KRas inhibitors KRAS, NRAS, HRAS ATR 1005/4885LCK 1059/4885ALDH1A1 1852/4885
US-20250289830-A1 KRAS INHIBITORS KRAS, NRAS, HRAS ATR 1005/4885LCK 1059/4885ALDH1A1 1852/4885

“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.