SCHEMBL3791002

SCHEMBL3791002

CNc1cccc(N)c1-c1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.47
MAOA P21397 1/20 0.44
CYP3A4 P08684 2/20 0.38
RECQL P46063 2/20 0.38
CASP1 P29466 1/20 0.38
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
MEN1 O00255 2/20 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
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
EGFR P00533 1/20 0.36
PABPC1 P11940 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3793786 0.83 MAPT (0.43) CYP3A4RECQLCASP1MEN1SMN1; SMN2
SCHEMBL3789831 0.81 MAPT (0.41) MAP4K4CYP3A4RECQLMEN1SMN1; SMN2
SCHEMBL3787108 0.77 MAP4K4 (0.51) MAP4K4MAOACYP3A4RECQLCASP1
SCHEMBL3790880 0.76 MAP4K4 (0.53) MAP4K4MAOACYP3A4RECQLCASP1
SCHEMBL3806752 0.76 MAOA (0.50) MAP4K4MAOACYP3A4RECQLCASP1
SCHEMBL3784612 0.76 MAP4K4 (0.53) MAP4K4MAOACYP3A4RECQLCASP1
SCHEMBL3788065 0.75 MAP4K4 (0.47) MAP4K4MAOACYP3A4RECQLCASP1
SCHEMBL3783438 0.74 BRD9 (0.46) MAP4K4SMN1; SMN2CYP17A1ALDH1A1LMNA
SCHEMBL28403007 0.73 MAP4K4 (0.52) MAP4K4MAOACYP3A4RECQLCASP1
SCHEMBL3787927 0.73 MAP4K4 (0.49) MAP4K4MAOACYP3A4RECQLCASP1

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 348/4885CYP3A4 177/4885

“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.