SCHEMBL3789101

SCHEMBL3789101

NCc1cc(N)ccc1-c1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAP4K4 O95819 3/20 0.44
DPP4 P27487 1/20 0.44
CYP3A4 P08684 2/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 2/20 0.39
PSIP1 O75475 1/20 0.39
AXL P30530 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 1/20 0.38
ADRA2C P18825 1/20 0.38
CYP19A1 P11511 3/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3781497 0.86 DPP4 (0.61) MAOADPP4CYP3A4MEN1MAPT
SCHEMBL3794222 0.85 MAOA (0.47) MAOAMAP4K4DPP4CYP3A4CASP1
SCHEMBL3787571 0.85 DPP4 (0.64) MAOAMAP4K4DPP4CYP3A4CASP1
SCHEMBL3788768 0.83 ALDH1A1 (0.49) MAOAMAP4K4CYP3A4CASP1RECQL
SCHEMBL3788707 0.82 DPP4 (0.43) DPP4CYP3A4MEN1MAPTKDM4E
SCHEMBL3790169 0.79 MAP4K4 (0.47) MAOAMAP4K4DPP4CYP3A4CASP1
SCHEMBL27606439 0.78 MAOA (0.40) MAOAMAP4K4DPP4CYP3A4CASP1
SCHEMBL25632076 0.77 MAOA (0.56) MAOAMAP4K4CYP3A4CASP1RECQL
SCHEMBL28179614 0.76 USP7 (0.44) DPP4CYP3A4CASP1MAPTALDH1A1
SCHEMBL6011321 0.75 MAOA (0.54) MAOAMAP4K4CYP3A4CASP1RECQL

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 348/4885MAP4K4 3704/4885DPP4 3267/4885

“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.