SCHEMBL3781383

SCHEMBL3781383

CCSc1cc(N)cc(-c2cccc(N)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
PTGS2 P35354 1/20 0.42
MAP4K4 O95819 4/20 0.42
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
PSIP1 O75475 1/20 0.41
AXL P30530 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CYP3A4 P08684 3/20 0.39
RECQL P46063 2/20 0.39
TSHR P16473 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL3789234 0.91 PTGS2 (0.50) MAOAPTGS2MAP4K4EPHX2MEN1
SCHEMBL3784048 0.87 MAOA (0.45) MAOAPTGS2EPHX2MEN1CYP3A4
SCHEMBL3789813 0.86 MAOA (0.53) MAOAPTGS2MAP4K4MEN1PSIP1
SCHEMBL30426786 0.83 CYP3A4 (0.46) MAOAPTGS2EPHX2MEN1CYP3A4
SCHEMBL926391 0.83 CYP3A4 (0.46) MAOAPTGS2EPHX2MEN1CYP3A4
SCHEMBL3789535 0.81 CYP3A4 (0.42) MAOAPTGS2EPHX2MEN1CYP3A4
SCHEMBL3793475 0.81 MAOA (0.52) MAOAMAP4K4MEN1PSIP1AXL
Hydrochloric Acid SCHEMBL2651523 0.81 CYP3A4 (0.44) MAOAPTGS2EPHX2MEN1CYP3A4
SCHEMBL3787437 0.79 PTGS2 (0.56) MAOAPTGS2EPHX2CYP3A4TP53
SCHEMBL3785569 0.77 MAOA (0.39) MAOAPTGS2MAP4K4EPHX2MEN1

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 348/4885PTGS2 3544/4885MAP4K4 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.