SCHEMBL4257660

SCHEMBL4257660

Nc1cc(-c2ccccc2)c2ccc(Br)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.47
GRM2 Q14416 1/20 0.47
PTGES O14684 3/20 0.44
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
DHFR P00374 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ACHE P22303 2/20 0.40
ADRB2 P07550 1/20 0.39
PRNP P04156 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL2319415 0.83 BACE1 (0.58) BACE1GRM2ADORA3ADORA2AADORA1
SCHEMBL23795928 0.81 BACE1 (0.41) BACE1GRM2ACHE
SCHEMBL5475850 0.81 PTGES (0.44) GRM2PTGESRXFP1PRNP
SCHEMBL1599588 0.81 APP (0.41) BACE1ADORA2AADORA1DHFRACHE
SCHEMBL14546441 0.77 ALDH1A1 (0.43) BACE1GRM2DHFRRXFP1
SCHEMBL22405969 0.75 ADORA2A (0.46) BACE1ADORA2AADORA1DHFRACHE
SCHEMBL4261753 0.75 AURKA (0.46) BACE1GRM2ADORA3ADORA2AADORA2B
SCHEMBL438920 0.74 ACHE (0.70) PTGESADORA3ADORA2AADORA2BADORA1
SCHEMBL18197830 0.73 BACE1 (0.50) BACE1ACHE
SCHEMBL4264929 0.73 BACE1 (0.51) BACE1GRM2ADORA3ADORA2AADORA1

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-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 BACE1 3142/4885GRM2 308/4885PTGES 3328/4885

“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.