SCHEMBL3786212

SCHEMBL3786212

CC(C)(C)OC(=O)Nc1cc(N)ccc1-c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
CYP17A1 P05093 4/20 0.40
BRD9 Q9H8M2 1/20 0.38
AAK1 Q2M2I8 3/20 0.37
PIK3CD O00329 2/20 0.37
ABL1 P00519 2/20 0.37
EGFR P00533 2/20 0.37
KDR P35968 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CG P48736 2/20 0.37
PRKDC P78527 2/20 0.37
BACE1 P56817 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
PSMB8 P28062 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CNR2 P34972 1/20 0.36
NR1H2 P55055 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 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
SCHEMBL3792928 0.92 BRD9 (0.46) BRD9AAK1TRPV1RXFP1CNR2
SCHEMBL3786206 0.89 CYP17A1 (0.42) MAP4K4CYP17A1BRD9AAK1PIK3CD
SCHEMBL3781977 0.88 CHRM3 (0.44) MAP4K4CYP17A1BRD9AAK1TRPV1
SCHEMBL3784682 0.86 TRPV1 (0.46) BRD9TRPV1RXFP1BRD4CREBBP
SCHEMBL3791007 0.82 BRD9 (0.43) BRD9AAK1TRPV1RXFP1CNR2
SCHEMBL2227781 0.82 AAK1 (0.48) MAP4K4AAK1RXFP1NR1H2
SCHEMBL19935638 0.81 KCNQ4 (0.40) MAP4K4CYP17A1BRD9AAK1PIK3CD
SCHEMBL13606210 0.81 HDAC1 (0.43) MAP4K4BRD9KDRRXFP1NR1H2
SCHEMBL14691487 0.81 LMNA (0.43) MAP4K4BRD9AAK1RXFP1
SCHEMBL3786959 0.81 BRD4 (0.41) MAP4K4CYP17A1BRD9PIK3CDABL1

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 MAP4K4 3704/4885CYP17A1 179/4885BRD9 247/4885

“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.