SCHEMBL3786317

SCHEMBL3786317

CN(C)c1cc(N)ccc1-c1cccc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAP4K4 O95819 6/20 0.43
BRD4 O60885 1/20 0.41
RECQL P46063 2/20 0.39
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
MEN1 O00255 2/20 0.38
PSIP1 O75475 1/20 0.38
AXL P30530 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MAPT P10636 2/20 0.37
MAOB P27338 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3786439 0.87 PGR (0.43) MAOACYP3A4MEN1MAPTTSHR
SCHEMBL3791883 0.85 MAOA (0.50) MAOAMAP4K4BRD4RECQLCYP3A4
SCHEMBL3786869 0.85 MAOA (0.45) MAOAMAP4K4BRD4RECQLCYP3A4
SCHEMBL3677212 0.82 CYP3A4 (0.43) CYP3A4MEN1MAPTMAOBCNR1
SCHEMBL27593668 0.81 CYP3A4 (0.41) CYP3A4MEN1MAPTMAOBCNR1
SCHEMBL3791074 0.80 MAP4K4 (0.46) MAOAMAP4K4BRD4RECQLCYP3A4
SCHEMBL27606403 0.78 MAOA (0.39) MAOAMAP4K4BRD4RECQLCYP3A4
SCHEMBL3786502 0.78 ALDH1A1 (0.48) MAOARECQLCYP3A4CASP1MEN1
SCHEMBL24875980 0.76 PGR (0.46) CYP3A4MEN1MAPTKDM4EALDH1A1
SCHEMBL25632076 0.76 MAOA (0.56) MAOAMAP4K4BRD4RECQLCYP3A4

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 MAOA 348/4885MAP4K4 3704/4885BRD4 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.