SCHEMBL3787571

SCHEMBL3787571

NCc1ccccc1-c1cccc(N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.64
MAOA P21397 1/20 0.52
MAP4K4 O95819 2/20 0.49
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
ADRA2C P18825 1/20 0.45
MAPT P10636 2/20 0.41
BRD4 O60885 1/20 0.41
AURKA O14965 1/20 0.41
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
PNMT P11086 1/20 0.41
MECP2 P51608 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 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
SCHEMBL3790169 0.87 MAP4K4 (0.47) DPP4MAOAMAP4K4ADRA2CMAPT
SCHEMBL3794222 0.85 MAOA (0.47) DPP4MAOAMAP4K4MAPTBRD4
SCHEMBL3789101 0.85 MAOA (0.47) DPP4MAOAMAP4K4ADRA2CMAPT
SCHEMBL3787028 0.83 MAOA (0.50) DPP4MAOAMAP4K4ADRA2CMAPT
SCHEMBL2023695 0.81 MAOA (0.68) MAOAMAP4K4MAPTBRD4AURKA
SCHEMBL29471388 0.81 MAOA (0.68) MAOAMAP4K4MAPTBRD4AURKA
SCHEMBL3781449 0.81 DPP4 (0.64) DPP4NOS3NOS1NOS2ADRA2C
SCHEMBL24597119 0.79 DPP4 (0.62) DPP4NOS3NOS1NOS2ADRA2C
SCHEMBL5478510 0.79 DPP4 (0.62) DPP4ADRA2CPNMT
SCHEMBL2450381 0.79 DPP4 (0.62) DPP4MAP4K4NOS3NOS1NOS2

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 DPP4 3267/4885MAOA 348/4885MAP4K4 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.