SCHEMBL3786524

SCHEMBL3786524

CN(C)c1cc(B(O)O)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CHEK1 O14757 1/20 0.38
NEK2 P51955 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
KMT2A Q03164 1/20 0.37
CA2 P00918 3/20 0.37
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
CA1 P00915 2/20 0.36
TTR P02766 1/20 0.33
PABPC1 P11940 1/20 0.33

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
SCHEMBL3790999 0.84 GAA (0.52) ENPP2KDM4EALDH1A1GAAMAPT
SCHEMBL21382152 0.76 ENPP2 (0.37) ENPP2CA2LPLLIPGCA1
SCHEMBL1744338 0.73 CA2 (0.43) ENPP2CA2LPLLIPGCA1
SCHEMBL29954610 0.73 CA2 (0.43) ENPP2CA2LPLLIPGCA1
SCHEMBL28744374 0.73 ENPP2 (0.50) ENPP2KDM4EALDH1A1KMT2ACA2
SCHEMBL29484231 0.73 ENPP2 (0.50) ENPP2KDM4EALDH1A1KMT2ACA2
SCHEMBL29123207 0.72 MCL1 (0.46) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL30416581 0.72 ALDH1A1 (0.50) ENPP2KDM4EALDH1A1MAPK1CA2
SCHEMBL3194289 0.72 ALDH1A1 (0.50) ENPP2KDM4EALDH1A1MAPK1CA2
SCHEMBL6726431 0.72 TTR (0.50) ENPP2GAAKMT2ACA2LPL

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 ENPP2 1920/4885KDM4E 2606/4885ALDH1A1 4339/4885

“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.