SCHEMBL7943972

SCHEMBL7943972

Cc1ccc2oc(C(=O)Nc3cccc(C4(C)CC(=O)N(C)C(N)=N4)c3)c(C)c2c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.59
MAPT P10636 2/20 0.48
APP P05067 1/20 0.45
CTSD P07339 1/20 0.45
BACE2 Q9Y5Z0 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL7943912 0.93 BACE1 (0.58) BACE1MAPTAPPCTSDBACE2
SCHEMBL7932607 0.92 BACE1 (0.57) BACE1APPCTSDBACE2NPC1
SCHEMBL7941920 0.92 BACE1 (0.57) BACE1MAPTAPPCTSDBACE2
SCHEMBL7939146 0.92 BACE1 (0.67) BACE1MAPTAPPCTSDBACE2
SCHEMBL7943927 0.92 BACE1 (0.61) BACE1MAPTAPPCTSDBACE2
SCHEMBL12301384 0.90 BACE1 (0.60) BACE1MAPTBACE2NPC1RAB9A
SCHEMBL7939848 0.86 MAPT (0.45) BACE1MAPTNPC1RAB9A
SCHEMBL12302218 0.85 BACE1 (0.53) BACE1MAPTBACE2
SCHEMBL7941282 0.84 BACE1 (0.58) BACE1APPCTSDNPC1RAB9A
SCHEMBL297960 0.83 BACE1 (0.65) BACE1APPCTSDBACE2

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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 WO 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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 BACE1 1/4885MAPT 38/4885APP 2/4885

“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.