SCHEMBL3787208

SCHEMBL3787208

NC(=O)c1c(N)cccc1-c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
BCAT2 O15382 1/20 0.40
PARP1 P09874 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDR P35968 3/20 0.37
KIT P10721 2/20 0.37
FLT3 P36888 2/20 0.37
IKBKB O14920 2/20 0.36
CYP3A4 P08684 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PRKCZ Q05513 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL1250167 0.87 BCAT2 (0.55) MKNK1MKNK2BCAT2PARP1ALDH1A1
SCHEMBL28011634 0.86 IKBKB (0.47) MKNK1MKNK2PARP1ALDH1A1KDR
SCHEMBL3789904 0.84 THRB (0.39) ALDH1A1HSD17B10KDRKITFLT3
SCHEMBL27895562 0.84 BCAT2 (0.52) MKNK1MKNK2BCAT2PARP1ALDH1A1
SCHEMBL3784550 0.82 MAP4K4 (0.49) MKNK2BCAT2PARP1ALDH1A1HSD17B10
SCHEMBL3790402 0.80 ALDH1A1 (0.56) MKNK1MKNK2BCAT2PARP1ALDH1A1
SCHEMBL27895561 0.77 BCAT2 (0.53) MKNK1MKNK2BCAT2PARP1HSD17B10
SCHEMBL28768425 0.77 SLC9A1 (0.43) MKNK1MKNK2PARP1KDRIKBKB
SCHEMBL1613338 0.77 MMP2 (0.43) PARP1ALDH1A1HSD17B10IKBKBCYP3A4
SCHEMBL28011626 0.76 PARP1 (0.47) PARP1ALDH1A1KDRIKBKBCYP3A4

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 MKNK1 3527/4885MKNK2 2702/4885BCAT2 372/4885

“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.