SCHEMBL3790402

SCHEMBL3790402

NC(=O)c1c(N)cccc1-c1ccccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
BTK Q06187 2/20 0.46
BRD4 O60885 2/20 0.45
HSD17B10 Q99714 2/20 0.43
PTPRC P08575 1/20 0.41
ADORA2A P29274 1/20 0.41
BCAT2 O15382 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SLC9A1 P19634 1/20 0.40
GRK6 P43250 1/20 0.40
CYP3A4 P08684 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
PARP1 P09874 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 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
SCHEMBL1250167 0.86 BCAT2 (0.55) ALDH1A1L3MBTL1BTKHSD17B10BCAT2
SCHEMBL1613338 0.84 MMP2 (0.43) ALDH1A1L3MBTL1BTKHSD17B10CYP3A4
SCHEMBL3790555 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1BTKBRD4HSD17B10
SCHEMBL3787208 0.80 MKNK1 (0.44) ALDH1A1L3MBTL1BTKBRD4HSD17B10
Bicarbonate SCHEMBL20565739 0.79 ALDH1A1 (0.72) ALDH1A1L3MBTL1BTKBRD4HSD17B10
SCHEMBL1250166 0.78 BCAT2 (0.61) ALDH1A1L3MBTL1BTKBRD4HSD17B10
SCHEMBL3804575 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1BTKBRD4HSD17B10
SCHEMBL3784550 0.77 MAP4K4 (0.49) ALDH1A1L3MBTL1BTKBRD4HSD17B10
SCHEMBL10447204 0.76 BTK (0.52) ALDH1A1L3MBTL1BTKBRD4HSD17B10
SCHEMBL28768425 0.76 SLC9A1 (0.43) BTKBRD4SLC9A1CYP3A4POLB

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 ALDH1A1 4339/4885L3MBTL1 3838/4885BTK 181/4885

“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.