SCHEMBL3785263

SCHEMBL3785263

Nc1cccc(-c2cc(N)cc(F)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.58
TAAR1 Q96RJ0 2/20 0.55
MAP4K4 O95819 5/20 0.48
MEN1 O00255 1/20 0.47
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
CYP3A4 P08684 2/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
BRD4 O60885 1/20 0.41
ESR2 Q92731 1/20 0.41
MCL1 Q07820 1/20 0.41
PDPK1 O15530 1/20 0.41
CYP17A1 P05093 1/20 0.41

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
SCHEMBL980539 0.93 MAOA (0.60) MAOATAAR1MAP4K4MEN1PSIP1
SCHEMBL3790609 0.86 TAAR1 (0.72) MAOATAAR1MAP4K4MEN1PSIP1
SCHEMBL31432876 0.84 MAOA (0.54) MAOATAAR1MAP4K4MEN1CYP3A4
SCHEMBL3785980 0.84 MAOA (0.54) MAOATAAR1MAP4K4MEN1CYP3A4
SCHEMBL2445085 0.84 MAOA (0.71) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL17264896 0.84 MAOA (0.71) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL13447707 0.84 MAOA (0.71) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL1100010 0.83 MAP4K4 (0.48) MAOATAAR1MAP4K4CYP3A4CA12
SCHEMBL29520747 0.81 MAOA (0.75) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL14387155 0.81 MAOA (0.75) MAOAMAP4K4MEN1PSIP1AXL

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 3 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
US-5578697-A DIELECTRIC POLYMERS FOR ELECTRONICS KABUSHIKI KAISHA TOSHIBA (JP) 1996-11-26 US 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 348/4885TAAR1 1746/4885MAP4K4 3704/4885

“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.