SCHEMBL30203387

SCHEMBL30203387

Cc1ncc(-c2csc(Oc3ccc(NC(=O)OC(C)(C)C)c(F)c3)n2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.42
KDR P35968 5/20 0.40
FLT1 P17948 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PSMD14 O00487 1/20 0.38
BRAF P15056 1/20 0.37
SREBF2 Q12772 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ROCK1 Q13464 1/20 0.36
ABL1 P00519 1/20 0.35
HDAC3 O15379 4/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL24926718 1.00 CYP17A1 (0.42) CYP17A1KDRFLT1MEN1KMT2A
SCHEMBL23368205 0.92 CYP17A1 (0.38) CYP17A1KDRFLT1MEN1KMT2A
SCHEMBL29834729 0.90 CYP17A1 (0.42) CYP17A1KDRFLT1MEN1KMT2A
SCHEMBL23355401 0.89 MEN1 (0.41) KDRMEN1KMT2APSMD14MAPT
SCHEMBL23368150 0.88 CYP17A1 (0.40) CYP17A1KDRFLT1MEN1KMT2A
SCHEMBL30203083 0.88 CYP17A1 (0.40) CYP17A1KDRFLT1MEN1KMT2A
SCHEMBL29834719 0.85 BRAF (0.43) CYP17A1KDRFLT1MEN1KMT2A
SCHEMBL29834682 0.80 CYP17A1 (0.43) CYP17A1KDRFLT1BRAFABL1
SCHEMBL23368116 0.80 CYP17A1 (0.43) CYP17A1KDRFLT1BRAFABL1
SCHEMBL21612809 0.79 CYP17A1 (0.42) CYP17A1KDRFLT1BRAFABL1

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 599/4885KDR 20/4885FLT1 119/4885

“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.