SCHEMBL3786947

SCHEMBL3786947

NC(=O)c1ccc(N)c(-c2ccc(N)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.47
MKNK1 Q9BUB5 5/20 0.44
MKNK2 Q9HBH9 4/20 0.44
MAPK14 Q16539 1/20 0.43
CHEK2 O96017 3/20 0.42
FYN P06241 1/20 0.42
MAP4K4 O95819 1/20 0.41
IKBKB O14920 2/20 0.40
PDK2 Q15119 1/20 0.40
AR P10275 1/20 0.39
MAPK12 P53778 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL3790168 0.85 PARP10 (0.47) PARP10MKNK1MKNK2CHEK2FYN
SCHEMBL3788399 0.85 CHEK2 (0.53) PARP10MKNK1MKNK2CHEK2FYN
SCHEMBL14972617 0.84 PARP10 (0.46) PARP10MKNK1MKNK2CHEK2FYN
SCHEMBL3787112 0.84 MAPT (0.49) RELA
SCHEMBL8226965 0.82 MAPK14 (0.53) PARP10MKNK1MKNK2MAPK14CHEK2
SCHEMBL3791419 0.81 PARP1 (0.42) MKNK2MAPK14MAP4K4IKBKBPDK2
SCHEMBL1708791 0.78 KMT2A (0.48) CHEK2MAP4K4RELA
Benzidine SCHEMBL9460959 0.78 PARP10 (0.65) PARP10MKNK1MKNK2MAP4K4IKBKB
SCHEMBL3786517 0.78 PARP10 (0.65) PARP10MKNK1MKNK2MAP4K4IKBKB
SCHEMBL31511258 0.77 IKBKB (0.40) PARP10MKNK1MKNK2CHEK2FYN

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 PARP10 1861/4885MKNK1 3527/4885MKNK2 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.