SCHEMBL3784550

SCHEMBL3784550

NC(=O)c1c(N)cccc1-c1cccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.49
MAOA P21397 1/20 0.42
MCL1 Q07820 1/20 0.41
PARP1 P09874 1/20 0.40
PLK4 O00444 1/20 0.40
EGFR P00533 1/20 0.40
ROS1 P08922 1/20 0.40
PIM1 P11309 1/20 0.40
AXL P30530 1/20 0.40
FLT3 P36888 1/20 0.40
FRK P42685 1/20 0.40
MAP4K2 Q12851 1/20 0.40
NTRK3 Q16288 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
AURKB Q96GD4 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
STK17A Q9UEE5 1/20 0.40
ALK Q9UM73 1/20 0.40

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
SCHEMBL3786909 0.85 MAP4K4 (0.44) MAP4K4MAOAMCL1CYP3A4MAPT
SCHEMBL27895545 0.85 PARP1 (0.49) MAP4K4MAOAMCL1PARP1PLK4
SCHEMBL1250167 0.84 BCAT2 (0.55) PARP1MKNK2IKBKBCYP1A2CYP3A4
SCHEMBL28011626 0.83 PARP1 (0.47) MAP4K4PARP1PLK4PIM1AURKB
SCHEMBL3787208 0.82 MKNK1 (0.44) PARP1FLT3MKNK2IKBKBCYP1A2
SCHEMBL27895544 0.79 BCAT2 (0.50) MAP4K4MAOAMCL1PARP1PLK4
SCHEMBL28768425 0.78 SLC9A1 (0.43) MAP4K4PARP1PLK4PIM1AURKB
SCHEMBL29249187 0.78 MCL1 (0.47) MAP4K4MAOAMCL1IKBKBMAPT
SCHEMBL18045544 0.78 MAP4K4 (0.43) MAP4K4MAOAMCL1PARP1PLK4
SCHEMBL3790402 0.77 ALDH1A1 (0.56) PARP1MKNK2IKBKBCYP1A2CYP3A4

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 3704/4885MAOA 348/4885MCL1 3100/4885

“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.