SCHEMBL24927736

SCHEMBL24927736

CC(C)(C)OC(=O)Nc1ccc(Oc2nc(CC(=O)O)cs2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.41
BRAF P15056 1/20 0.40
KDR P35968 3/20 0.40
FLT1 P17948 1/20 0.40
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SCN9A Q15858 1/20 0.36
LMNA P02545 1/20 0.36
SREBF2 Q12772 1/20 0.35
MET P08581 1/20 0.35
ABCB1 P08183 1/20 0.35
RIPK2 O43353 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34

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
SCHEMBL23355451 0.90 CYP17A1 (0.42) CYP17A1BRAFKDRFLT1SCN9A
SCHEMBL23368137 0.87 CYP17A1 (0.39) CYP17A1BRAFKDRFLT1SCN9A
SCHEMBL30204085 0.87 CYP17A1 (0.39) CYP17A1BRAFKDRFLT1SCN9A
SCHEMBL24927731 0.85 CYP17A1 (0.38) CYP17A1BRAFKDRFLT1SCN9A
SCHEMBL21612809 0.85 CYP17A1 (0.42) CYP17A1BRAFKDRFLT1LMNA
SCHEMBL29834682 0.84 CYP17A1 (0.43) CYP17A1BRAFKDRFLT1ABCB1
SCHEMBL23368116 0.84 CYP17A1 (0.43) CYP17A1BRAFKDRFLT1ABCB1
SCHEMBL23368031 0.82 CYP17A1 (0.41) CYP17A1BRAFKDRFLT1SMN1; SMN2
SCHEMBL29834712 0.82 KDR (0.41) CYP17A1BRAFKDRFLT1ALDH1A1
SCHEMBL29834629 0.82 CYP17A1 (0.42) CYP17A1BRAFKDRFLT1ALDH1A1

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-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-01-26 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-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES ERBB2, EGFR, ERBB3 CYP17A1 599/4885BRAF 28/4885KDR 20/4885

“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.