SCHEMBL3784526

SCHEMBL3784526

NC(=O)c1ccc(-c2cccc(N)c2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.54
MCL1 Q07820 1/20 0.54
MKNK2 Q9HBH9 5/20 0.51
MAP4K4 O95819 4/20 0.51
AXL P30530 2/20 0.51
PLK4 O00444 1/20 0.51
EGFR P00533 1/20 0.51
ROS1 P08922 1/20 0.51
PIM1 P11309 1/20 0.51
FLT3 P36888 1/20 0.51
FRK P42685 1/20 0.51
MAP4K2 Q12851 1/20 0.51
NTRK3 Q16288 1/20 0.51
MINK1 Q8N4C8 1/20 0.51
AURKB Q96GD4 1/20 0.51
HIPK2 Q9H2X6 1/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
STK17A Q9UEE5 1/20 0.51
ALK Q9UM73 1/20 0.51
MAOA P21397 1/20 0.48

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
SCHEMBL5047743 0.86 IKBKB (0.74) IKBKBMCL1MKNK2MAP4K4AXL
SCHEMBL3793566 0.85 IKBKB (0.73) IKBKBMCL1MKNK2MAP4K4PPM1B
SCHEMBL28211256 0.84 IKBKB (0.53) IKBKBMCL1MKNK2MAP4K4AXL
SCHEMBL3794232 0.84 MCL1 (0.53) IKBKBMCL1MKNK2MAP4K4AXL
SCHEMBL3781502 0.83 IKBKB (0.55) IKBKBMCL1MKNK2PARP1PPM1B
SCHEMBL27919911 0.81 MAP4K4 (0.50) IKBKBMCL1MKNK2MAP4K4AXL
SCHEMBL27724618 0.80 PBRM1 (0.57) IKBKBMCL1MAOACA1CA2
SCHEMBL3790353 0.79 MAP4K4 (0.48) IKBKBMCL1MKNK2MAP4K4AXL
SCHEMBL7409099 0.78 MAPT (0.48) IKBKBMCL1MEN1CYP3A4CYP2C9
SCHEMBL28033110 0.78 PPM1B (0.54) IKBKBMKNK2PPM1BMKNK1PRF1

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 IKBKB 2611/4885MCL1 3100/4885MKNK2 2702/4885

“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.