SCHEMBL3784822

SCHEMBL3784822

CC(=O)Oc1cccc(-c2ccc(N)cc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.45
ADORA3 P0DMS8 3/20 0.43
ADORA2A P29274 3/20 0.43
ADORA1 P30542 2/20 0.43
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 3/20 0.42
PTGS2 P35354 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
ESR1 P03372 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HMGB1 P09429 1/20 0.42
GGT1 P19440 1/20 0.42
PTGS1 P23219 1/20 0.42
BLM P54132 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3792914 0.88 ADORA3 (0.54) BACE1ADORA3ADORA2AADORA1MAPK1
SCHEMBL3790378 0.88 NCOA1 (0.49) BACE1ADORA3ADORA2AADORA1MAPK1
SCHEMBL3794457 0.84 NCOA1 (0.38) BACE1HSD17B10ALDH1A1LMNAGAA
SCHEMBL3786190 0.84 ADORA3 (0.44) BACE1ADORA3ADORA2AADORA1MAPK1
SCHEMBL3786504 0.79 FYN (0.45) MAPK1HSD17B10TSHRALDH1A1HPGD
SCHEMBL3787196 0.79 MAPK1 (0.41) BACE1ADORA3ADORA2AADORA1MAPK1
SCHEMBL3785789 0.79 BACE1 (0.44) BACE1ADORA3ADORA2AADORA1MAPK1
SCHEMBL3783939 0.78 BACE1 (0.54) BACE1ADORA3ADORA2AADORA1KDM4E
SCHEMBL3790311 0.78 PTGS2 (0.47) ADORA3ADORA2AADORA1MAPK1KDM4E
SCHEMBL3789526 0.78 BACE1 (0.54) BACE1ADORA3ADORA2AADORA1KDM4E

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 925/4885ADORA3 1301/4885ADORA2A 2101/4885

“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.