SCHEMBL26894606

SCHEMBL26894606

CC(C)(C)OC(=O)Nc1cnc(Cl)c(F)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.41
MAPKAPK2 P49137 6/20 0.37
METAP1 P53582 1/20 0.37
P2RX3 P56373 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
CYP17A1 P05093 1/20 0.35
TRPA1 O75762 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
S1PR3 Q99500 1/20 0.33
SYK P43405 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
SCHEMBL29936130 1.00 ATR (0.41) ATRMAPKAPK2METAP1P2RX3AAK1
SCHEMBL26697706 0.88 ATR (0.41) ATRMAPKAPK2METAP1P2RX3AAK1
SCHEMBL30722754 0.86 ATR (0.40) ATRMAPKAPK2METAP1P2RX3AAK1
SCHEMBL19960768 0.83 ATR (0.43) ATRMAPKAPK2METAP1P2RX3AAK1
SCHEMBL23291067 0.82 ATR (0.42) ATRMAPKAPK2METAP1P2RX3AAK1
SCHEMBL2019695 0.82 ATR (0.42) ATRMAPKAPK2METAP1P2RX3AAK1
SCHEMBL30038835 0.82 ATR (0.42) ATRMAPKAPK2METAP1P2RX3AAK1
SCHEMBL21789258 0.81 ATR (0.41) ATRMAPKAPK2METAP1P2RX3AAK1
SCHEMBL26697648 0.79 POLB (0.36)
SCHEMBL29936019 0.79 ATR (0.40) ATRMAPKAPK2METAP1P2RX3AAK1

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-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 US disclosed
WO-2022221227-A9 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2023-11-30 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-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations EGFR, ERBB2, ERBB3 ATR 573/4885MAPKAPK2 1588/4885METAP1 863/4885

“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.