SCHEMBL7933070

SCHEMBL7933070

Cc1ccoc1C(=O)Nc1cccc(C2(C)CC(=O)N(C)C(N)=N2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.65
BACE2 Q9Y5Z0 2/20 0.64
APP P05067 1/20 0.64
CTSD P07339 1/20 0.64
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM1 Q13255 1/20 0.44
GRM4 Q14833 1/20 0.44
PKM P14618 1/20 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
SCHEMBL297960 0.85 BACE1 (0.65) BACE1BACE2APPCTSD
SCHEMBL7943453 0.85 BACE1 (0.51) BACE1BACE2APPCTSDMEN1
SCHEMBL12301677 0.84 BACE1 (0.59) BACE1BACE2APPCTSDGRM1
SCHEMBL286822 0.83 BACE1 (0.69) BACE1BACE2
SCHEMBL286821 0.83 BACE1 (0.69) BACE1BACE2
SCHEMBL286820 0.83 BACE1 (0.69) BACE1BACE2
SCHEMBL287050 0.83 BACE1 (0.69) BACE1BACE2
SCHEMBL7933930 0.83 BACE1 (0.69) BACE1BACE2
SCHEMBL287230 0.83 BACE1 (0.65) BACE1BACE2
SCHEMBL7940432 0.83 BACE1 (0.65) BACE1BACE2

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 1/4885BACE2 3/4885APP 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.