SCHEMBL3786206

SCHEMBL3786206

CC(C)(C)OC(=O)Nc1ccc(N)cc1-c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.42
MAP4K4 O95819 1/20 0.42
PIK3CD O00329 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
BACE1 P56817 1/20 0.39
PRKDC P78527 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
AAK1 Q2M2I8 3/20 0.38
BRD9 Q9H8M2 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
PSMB8 P28062 1/20 0.37
HDAC1 Q13547 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CNR2 P34972 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36

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
SCHEMBL3783569 0.92 BRD9 (0.46) CYP17A1BRD9HDAC1RXFP1CNR2
SCHEMBL3786212 0.89 MAP4K4 (0.42) CYP17A1MAP4K4PIK3CDABL1EGFR
SCHEMBL3786623 0.88 CHRM3 (0.46) CYP17A1MAP4K4BRD9TRPV1RXFP1
SCHEMBL3784682 0.86 TRPV1 (0.46) BRD9TRPV1RXFP1
SCHEMBL13633132 0.84 BRD4 (0.48) CYP17A1MAP4K4HDAC1RXFP1
SCHEMBL3786645 0.83 AAK1 (0.53) CYP17A1MAP4K4AAK1HDAC1GAA
SCHEMBL13669997 0.82 NAMPT (0.44) CYP17A1MAP4K4AAK1PSMB8
SCHEMBL3784001 0.82 BRD9 (0.43) AAK1BRD9TRPV1HDAC1RXFP1
SCHEMBL15160030 0.82 GAA (0.52) CYP17A1MAP4K4AAK1RXFP1KCNQ4
SCHEMBL1322145 0.81 MAPT (0.54) CYP17A1AAK1BRD9MAPT

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP17A1 179/4885MAP4K4 3704/4885PIK3CD 3585/4885

“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.