SCHEMBL3785246

SCHEMBL3785246

NC(=O)c1ccc(-c2cccc(N)c2)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.42
MAOA P21397 1/20 0.41
MCL1 Q07820 1/20 0.41
MKNK2 Q9HBH9 2/20 0.40
MKNK1 Q9BUB5 2/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
MAP4K4 O95819 2/20 0.40
PRKCI P41743 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

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
SCHEMBL3791419 0.87 PARP1 (0.42) PARP1MAOAMCL1MKNK2BAZ2B
SCHEMBL4264020 0.87 MCL1 (0.47) MAOAMCL1PBRM1AKR1C3AKR1C2
SCHEMBL3785723 0.85 PRKCI (0.46) MAOAMCL1MAP4K4PRKCIAKR1C3
SCHEMBL3781170 0.84 MKNK1 (0.53) PARP1MKNK2MKNK1MAP4K4CHEK2
SCHEMBL21295924 0.82 PLA2G2A (0.47) PARP1MAOAMCL1MKNK2BAZ2B
SCHEMBL3790168 0.81 PARP10 (0.47) MKNK2MKNK1MAP4K4CHEK2PARP10
SCHEMBL3790485 0.80 ERN1 (0.54) PARP1MAOAMCL1MKNK2MAP4K4
SCHEMBL3790217 0.79 MAOA (0.57) MAOAMCL1MKNK2MKNK1CHEK2
SCHEMBL6011321 0.78 MAOA (0.54) MAOAMKNK2MKNK1MAP4K4AXL
SCHEMBL27668122 0.78 PARP1 (0.59) PARP1BAZ2BBAZ2APRKCIFLT3

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 3661/4885MAOA 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.