SCHEMBL31745253

SCHEMBL31745253

CC(C)(C)CNc1nc(-c2ccccc2F)c(Cl)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KRAS P01116 7/20 0.38
DHODH Q02127 4/20 0.38
MAPK8 P45983 2/20 0.38
EIF4E P06730 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NTRK1 P04629 1/20 0.37
MAPT P10636 1/20 0.37
ACMSD Q8TDX5 1/20 0.36

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
SCHEMBL21543515 1.00 KRAS (0.38) KRASDHODHMAPK8EIF4ENPC1
SCHEMBL21530982 0.81 KRAS (0.46) KRAS
SCHEMBL21543230 0.79 MAPK8 (0.38) MAPK8
SCHEMBL31745394 0.79 MAPK8 (0.38) MAPK8
SCHEMBL23234729 0.77 KRAS (0.43) KRAS
SCHEMBL23234890 0.77 KRAS (0.44) KRAS
SCHEMBL23234730 0.77 KRAS (0.43) KRAS
SCHEMBL23583847 0.77 KRAS (0.44) KRAS
SCHEMBL29469145 0.77 KRAS (0.44) KRAS
SCHEMBL21543189 0.77 KEAP1 (0.53) DHODHEIF4ENPC1RAB9AMAPT

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-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-12-18 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-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KRAS 1/4885DHODH 1093/4885MAPK8 1146/4885

“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.