SCHEMBL3781842

SCHEMBL3781842

CNc1ccc(B(O)O)cc1N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.50
▸ ENPP2 Q13822 6/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ 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
▸ GLA P06280 1/20 0.33
▸ GAA P10253 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
SCHEMBL3783983 0.84 ENPP2 (0.41) PRKCIENPP2KDM4EALDH1A1CA2
SCHEMBL3781706 0.81 CA2 (0.41) ENPP2KDM4EALDH1A1CA2LPL
SCHEMBL3790364 0.79 KDM4E (0.54) ENPP2KDM4EALDH1A1LPLLIPG
SCHEMBL14951292 0.78 APP (0.40) ENPP2CA2LPLLIPGCA1
Hydrochloric Acid SCHEMBL31320826 0.74 CA2 (0.35) ENPP2CA2LPLLIPGCA1
SCHEMBL28939320 0.74 ENPP2 (0.46) ENPP2KDM4EALDH1A1CA2LPL
SCHEMBL14951276 0.73 HIF1A (0.43) ENPP2CA2LPLLIPGCA1
SCHEMBL29484231 0.73 ENPP2 (0.50) ENPP2KDM4EALDH1A1CA2LPL
SCHEMBL28744374 0.73 ENPP2 (0.50) ENPP2KDM4EALDH1A1CA2LPL
SCHEMBL189833 0.72 ALDH1A1 (0.50) ENPP2KDM4EALDH1A1CA2LPL

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 PRKCI 4454/4885ENPP2 1920/4885KDM4E 2606/4885

“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.

Send feedback