SCHEMBL3784805

SCHEMBL3784805

NC(=O)c1cccc(-c2cccc(N)c2)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
BCAT2 O15382 1/20 0.50
MAP4K4 O95819 3/20 0.47
AXL P30530 2/20 0.47
FLT3 P36888 2/20 0.47
FRK P42685 2/20 0.47
NTRK3 Q16288 2/20 0.47
AURKB Q96GD4 2/20 0.47
PLK4 O00444 1/20 0.47
EGFR P00533 1/20 0.47
ROS1 P08922 1/20 0.47
PIM1 P11309 1/20 0.47
MAP4K2 Q12851 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
STK17A Q9UEE5 1/20 0.47
ALK Q9UM73 1/20 0.47
IKBKB O14920 6/20 0.46

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
SCHEMBL1456885 0.88 BCAT2 (0.67) PARP1BCAT2MAP4K4AXLFLT3
SCHEMBL17744897 0.86 MCL1 (0.57) BCAT2MAP4K4MCL1MAOAKDR
SCHEMBL27895545 0.85 PARP1 (0.49) PARP1BCAT2MAP4K4AXLFLT3
SCHEMBL3785680 0.85 MCL1 (0.44) PARP1MAP4K4MCL1MAOAFYN
SCHEMBL3433069 0.84 BCAT2 (0.71) PARP1BCAT2IKBKBCHUKIKBKE
SCHEMBL1512152 0.83 BCAT2 (0.59) PARP1BCAT2MAP4K4FLT3PLK4
SCHEMBL6131504 0.83 TLR8 (0.48) PARP1BCAT2MAP4K4AXLFLT3
SCHEMBL3791160 0.82 BCAT2 (0.53) PARP1BCAT2MAP4K4AXLFLT3
SCHEMBL31151826 0.82 MAP4K4 (0.49) PARP1BCAT2MAP4K4AXLFLT3
SCHEMBL27895544 0.82 BCAT2 (0.50) PARP1BCAT2MAP4K4AXLFLT3

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 PARP1 3661/4885BCAT2 372/4885MAP4K4 3704/4885

“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.