SCHEMBL3788065

SCHEMBL3788065

CNc1cccc(-c2cccc(N)c2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.47
MAOA P21397 1/20 0.44
BRD4 O60885 1/20 0.40
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
KIT P10721 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CHRM3 P20309 2/20 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
MAPT P10636 2/20 0.36
MAOB P27338 1/20 0.36
EGFR P00533 1/20 0.36
PABPC1 P11940 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
SCHEMBL3806752 0.87 MAOA (0.50) MAP4K4MAOABRD4CYP3A4CASP1
SCHEMBL3780916 0.83 ALDH1A1 (0.45) MAP4K4RECQLMAPTEGFRPABPC1
SCHEMBL3789487 0.81 TDP1 (0.38) MAP4K4CYP3A4RECQLKITMAPT
SCHEMBL3790124 0.80 MAP4K4 (0.49) MAP4K4MAOABRD4CYP3A4CASP1
SCHEMBL3787927 0.80 MAP4K4 (0.49) MAP4K4MAOABRD4CYP3A4CASP1
SCHEMBL3781453 0.76 MAP4K4 (0.50) MAP4K4MAOABRD4CYP3A4CASP1
SCHEMBL3791002 0.75 MAP4K4 (0.47) MAP4K4MAOACYP3A4CASP1RECQL
SCHEMBL3783842 0.75 MAP4K4 (0.47) MAP4K4MAOABRD4CYP3A4CASP1
SCHEMBL17595008 0.75 MAP4K4 (0.53) MAP4K4MAOABRD4CYP3A4CASP1
SCHEMBL25631781 0.75 MAOA (0.64) MAP4K4MAOABRD4CYP3A4CASP1

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 348/4885BRD4 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.