SCHEMBL3786323

SCHEMBL3786323

CN(C)c1cccc(N)c1-c1ccccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
NSD2 O96028 1/20 0.52
EGFR P00533 1/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
DYRK1A Q13627 2/20 0.47
CHEK1 O14757 1/20 0.47
NEK2 P51955 1/20 0.47
LIMK1 P53667 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
PDK2 Q15119 2/20 0.42
ADORA2A P29274 3/20 0.42
PTPRC P08575 1/20 0.42
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
FGR P09769 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
SCHEMBL3792075 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPTTDP1NSD2
SCHEMBL3781821 0.80 CHEK1 (0.47) ALDH1A1L3MBTL1MAPTTDP1NSD2
SCHEMBL3787215 0.80 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTTDP1NSD2
SCHEMBL7389021 0.78 ALDH1A1 (0.67) ALDH1A1L3MBTL1MAPTTDP1DYRK1A
SCHEMBL20421691 0.78 CD44 (0.46) ALDH1A1L3MBTL1MAPTTDP1NSD2
SCHEMBL113870 0.75 CHEK1 (0.60) ALDH1A1L3MBTL1MAPTTDP1NSD2
SCHEMBL29707613 0.75 CHEK1 (0.60) ALDH1A1L3MBTL1MAPTTDP1NSD2
SCHEMBL3783752 0.74 CHEK1 (0.41) ALDH1A1L3MBTL1MAPTTDP1NSD2
SCHEMBL5576934 0.74 MAPT (0.59) ALDH1A1L3MBTL1MAPTTDP1NSD2
SCHEMBL3794845 0.74 ALDH1A1 (0.55) ALDH1A1L3MBTL1TDP1DYRK1APDK2

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 3838/4885MAPT 3312/4885

“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.