SCHEMBL3786190

SCHEMBL3786190

CC(=O)Oc1cccc(-c2cccc(N)c2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.44
MAP4K4 O95819 1/20 0.41
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
TTR P02766 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ABCC4 O15439 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CHRM2 P08172 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL3806882 0.91 ADORA3 (0.47) ADORA3ADORA2AADORA1MAP4K4MAPK1
SCHEMBL3792914 0.85 ADORA3 (0.54) ADORA3ADORA2AADORA1MAPK1KDM4E
SCHEMBL3785607 0.85 MAP4K4 (0.40) MAP4K4KDM4EALDH1A1MAPTADRA2A
SCHEMBL3784462 0.84 BACE1 (0.43) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL3787217 0.84 PTGDR2 (0.49) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL3784822 0.84 BACE1 (0.45) ADORA3ADORA2AADORA1MAPK1KDM4E
SCHEMBL3790127 0.80 FYN (0.50) MAP4K4MAPK1ALDH1A1HPGDMAPT
SCHEMBL3790372 0.80 SMN1; SMN2 (0.43) ADORA3ADORA2AADORA1MAP4K4MAPK1
SCHEMBL3789558 0.80 BACE1 (0.45) MAP4K4KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3789776 0.79 ADRA2A (0.43) MAP4K4KDM4EALDH1A1MAPTADRA2A

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 ADORA3 1301/4885ADORA2A 2101/4885ADORA1 3725/4885

“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.