SCHEMBL29834682

SCHEMBL29834682

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.43
BRAF P15056 2/20 0.42
KDR P35968 3/20 0.40
FLT1 P17948 1/20 0.40
MAPK14 Q16539 6/20 0.36
ABL1 P00519 1/20 0.35
MAPK13 O15264 3/20 0.35
ABCB1 P08183 1/20 0.35
KCNQ4 P56696 3/20 0.35
KCNQ5 Q9NR82 3/20 0.35
METAP1 P53582 1/20 0.34
LCK P06239 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
SCHEMBL23368116 1.00 CYP17A1 (0.43) CYP17A1BRAFKDRFLT1MAPK14
SCHEMBL21612809 0.86 CYP17A1 (0.42) CYP17A1BRAFKDRFLT1MAPK14
SCHEMBL29834629 0.85 CYP17A1 (0.42) CYP17A1BRAFKDRFLT1MAPK14
SCHEMBL23355451 0.85 CYP17A1 (0.42) CYP17A1BRAFKDRFLT1MAPK14
SCHEMBL29834703 0.85 BRAF (0.43) CYP17A1BRAFKDRFLT1MAPK14
SCHEMBL23355378 0.84 LMNA (0.37) KDRABL1
SCHEMBL24927736 0.84 CYP17A1 (0.41) CYP17A1BRAFKDRFLT1ABCB1
SCHEMBL29834712 0.84 KDR (0.41) CYP17A1BRAFKDRFLT1MAPK14
SCHEMBL23368031 0.84 CYP17A1 (0.41) CYP17A1BRAFKDRFLT1MAPK14
SCHEMBL24926749 0.82 BRAF (0.41) CYP17A1BRAFKDRFLT1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398805-A1 QUINAZOLINE DERIVED COMPOUNDS AS EGFR INHIBITORS AND THEIR USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2024-12-05 US disclosed
US-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-01-26 US disclosed
WO-2022170043-A1 QUINAZOLINE DERIVED COMPOUNDS AS EGFR INHIBITORS AND THEIR USES THEREOF ACCUTAR BIOTECHNOLOGY, INC. (US) 2022-08-11 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 (2 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-20240398805-A1 QUINAZOLINE DERIVED COMPOUNDS AS EGFR INHIBITORS AND THEIR USES THEREOF ERBB2, EGFR, ERBB4 CYP17A1 3308/4885BRAF 16/4885KDR 48/4885
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.