SCHEMBL3785789

SCHEMBL3785789

CC(=O)Oc1c(N)cccc1-c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.44
PREP P48147 3/20 0.39
CELA1 Q9UNI1 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
ACHE P22303 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PRKCZ Q05513 1/20 0.35
GSK3B P49841 1/20 0.35
ADK P55263 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL3786215 0.89 BACE1 (0.57) BACE1MAPK1KDM4EALDH1A1HPGD
SCHEMBL3789558 0.84 BACE1 (0.45) BACE1KDM4EALDH1A1
SCHEMBL3785086 0.81 ALDH1A1 (0.46) BACE1MAPK1KDM4EALDH1A1HPGD
SCHEMBL3789085 0.81 KDR (0.35) KDM4EALDH1A1HSD17B10KITKDR
SCHEMBL3784822 0.79 BACE1 (0.45) BACE1CYP19A1MAPK1KDM4EALDH1A1
SCHEMBL3786304 0.78 FYN (0.42) CYP19A1MAPK1ALDH1A1HSD17B10KIT
SCHEMBL3790378 0.77 NCOA1 (0.49) BACE1MAPK1KDM4EALDH1A1HPGD
SCHEMBL3789904 0.75 THRB (0.39) KDM4EALDH1A1HSD17B10KITKDR
SCHEMBL3787196 0.74 MAPK1 (0.41) BACE1PREPCELA1CYP19A1MAPK1
SCHEMBL9297160 0.74 MAPK1 (0.61) MAPK1KDM4EALDH1A1HPGDHSD17B10

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 BACE1 925/4885PREP 1256/4885CELA1 4541/4885

“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.