SCHEMBL24926749

SCHEMBL24926749

CC(C)(C)OC(=O)Nc1ccc(Oc2nc(B3OC(C)(C)C(C)(C)O3)cs2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.41
AAK1 Q2M2I8 2/20 0.40
CYP17A1 P05093 1/20 0.39
KDR P35968 2/20 0.37
FLT1 P17948 1/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
MAPK14 Q16539 3/20 0.34
MAPK13 O15264 2/20 0.34
LIPE Q05469 3/20 0.33
ABL1 P00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 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
SCHEMBL30203045 1.00 BRAF (0.41) BRAFAAK1CYP17A1KDRFLT1
SCHEMBL23355472 0.87 CA1 (0.35) KDRMAPK14MAPK13LIPEABL1
SCHEMBL29834682 0.82 CYP17A1 (0.43) BRAFCYP17A1KDRFLT1MAPK14
SCHEMBL23368116 0.82 CYP17A1 (0.43) BRAFCYP17A1KDRFLT1MAPK14
SCHEMBL21612809 0.81 CYP17A1 (0.42) BRAFCYP17A1KDRFLT1MAPK14
SCHEMBL23355451 0.81 CYP17A1 (0.42) BRAFCYP17A1KDRFLT1MAPK14
SCHEMBL29834703 0.81 BRAF (0.43) BRAFCYP17A1KDRFLT1MAPK14
SCHEMBL29834629 0.81 CYP17A1 (0.42) BRAFCYP17A1KDRFLT1MAPK14
SCHEMBL23368031 0.79 CYP17A1 (0.41) BRAFCYP17A1KDRFLT1MAPK14
SCHEMBL24927736 0.79 CYP17A1 (0.41) BRAFCYP17A1KDRFLT1KCNQ4

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 BRAF 28/4885AAK1 466/4885CYP17A1 599/4885

“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.