SCHEMBL3786152

SCHEMBL3786152

NCc1ccc(-c2cccc(N)c2)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.46
TAAR1 Q96RJ0 3/20 0.44
MAOA P21397 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CYP19A1 P11511 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MAP4K4 O95819 2/20 0.42
HRH3 Q9Y5N1 1/20 0.40
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
PNMT P11086 1/20 0.37
ENPP2 Q13822 1/20 0.37
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

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
SCHEMBL3790111 0.86 MAP4K4 (0.46) CSNK2A1TAAR1MAOALOXL2CYP19A1
SCHEMBL27747310 0.86 LOXL2 (0.43) CSNK2A1TAAR1MAOALOXL2CYP19A1
SCHEMBL3789534 0.84 MAPT (0.46) MAOACYP19A1CYP3A4CYP17A1CYP11B1
SCHEMBL3783312 0.83 CSNK2A1 (0.65) CSNK2A1TAAR1LOXL2HRH3
SCHEMBL2134718 0.82 MAOA (0.62) TAAR1MAOALOXL2CYP19A1CYP3A4
SCHEMBL6011321 0.81 MAOA (0.54) MAOACYP3A4MAP4K4CASP1RECQL
SCHEMBL27602709 0.79 LOXL2 (0.54) CSNK2A1TAAR1LOXL2CYP19A1HRH3
SCHEMBL3787029 0.79 LOXL2 (0.54) CSNK2A1TAAR1MAOALOXL2CYP19A1
SCHEMBL10717407 0.79 PLA2G10 (0.48) MAOA
SCHEMBL3790473 0.79 MAOA (0.58) TAAR1MAOALOXL2CYP19A1CYP3A4

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 CSNK2A1 4767/4885TAAR1 1746/4885MAOA 348/4885

“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.