SCHEMBL3784696

SCHEMBL3784696

CN(C)c1c(N)cccc1-c1cccc(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.46
MAOA P21397 1/20 0.44
BRD4 O60885 1/20 0.40
ADRA2C P18825 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
RECQL P46063 2/20 0.38
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
MEN1 O00255 1/20 0.37
PSIP1 O75475 1/20 0.37
AXL P30530 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
KIT P10721 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
MAOB P27338 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3783745 0.83 ALDH1A1 (0.56) MAP4K4MEN1ALDH1A1HSD17B10MAPT
SCHEMBL3786886 0.81 ALDH1A1 (0.40) CYP3A4MEN1KITALDH1A1HSD17B10
SCHEMBL28403007 0.77 MAP4K4 (0.52) MAP4K4MAOABRD4RECQLCYP3A4
SCHEMBL29636990 0.77 ALDH1A1 (0.62) MAP4K4MAOABRD4RECQLCYP3A4
SCHEMBL30839741 0.77 ALDH1A1 (0.62) MAP4K4MAOABRD4RECQLCYP3A4
SCHEMBL2442638 0.77 ALDH1A1 (0.62) MAP4K4MAOABRD4RECQLCYP3A4
SCHEMBL31607638 0.77 ALDH1A1 (0.62) MAP4K4MAOABRD4RECQLCYP3A4
SCHEMBL3791883 0.76 MAOA (0.50) MAP4K4MAOABRD4ADRA2CADRA2A
SCHEMBL3785555 0.76 MAP4K4 (0.50) MAP4K4MAOABRD4RECQLCYP3A4
SCHEMBL3786897 0.75 MAOA (0.44) MAP4K4MAOARECQLCYP3A4CASP1

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 348/4885BRD4 96/4885

“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.