SCHEMBL3785160

SCHEMBL3785160

NCc1cccc(N)c1-c1ccccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DPP4 P27487 4/20 0.47
ADORA2A P29274 2/20 0.44
PTPRC P08575 1/20 0.44
PNMT P11086 3/20 0.43
HSD17B10 Q99714 1/20 0.41
CSNK1A1 P48729 2/20 0.39
CSNK1D P48730 2/20 0.39
CSNK1G1 Q9HCP0 2/20 0.39
FGR P09769 1/20 0.39
PIM1 P11309 1/20 0.39
MAOA P21397 1/20 0.39
DYRK1A Q13627 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
PABPC1 P11940 2/20 0.38
HSPA1A P0DMV8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 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
SCHEMBL27773170 0.85 DPP4 (0.54) ALDH1A1L3MBTL1DPP4ADORA2APTPRC
SCHEMBL3789301 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1DPP4ADORA2APTPRC
SCHEMBL21380585 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1DPP4ADORA2APTPRC
SCHEMBL3790601 0.80 ALDH1A1 (0.62) ALDH1A1L3MBTL1DPP4PNMTHSD17B10
SCHEMBL7389021 0.79 ALDH1A1 (0.67) ALDH1A1L3MBTL1DPP4ADORA2APTPRC
SCHEMBL3793229 0.79 ALDH1A1 (0.54) ALDH1A1L3MBTL1DPP4ADORA2APTPRC
SCHEMBL3807089 0.79 DPP4 (0.52) ALDH1A1DPP4ADORA2APTPRCPNMT
SCHEMBL21380578 0.79 HTR2A (0.44) ALDH1A1L3MBTL1ADORA2APTPRCHSD17B10
SCHEMBL27454834 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1DPP4PNMTHSD17B10
SCHEMBL2939528 0.77 DPP4 (0.46) ALDH1A1L3MBTL1DPP4ADORA2APTPRC

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 ALDH1A1 4339/4885L3MBTL1 3838/4885DPP4 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.