SCHEMBL7942665

SCHEMBL7942665

COc1cc(C(=O)Nc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)on1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.54
BACE2 Q9Y5Z0 2/20 0.38
RPS6KA2 Q15349 1/20 0.36

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
SCHEMBL7941481 0.89 BACE1 (0.48) BACE1BACE2
SCHEMBL7941426 0.85 BACE1 (0.71) BACE1BACE2
SCHEMBL7944165 0.84 BACE1 (0.75) BACE1BACE2
SCHEMBL7934648 0.84 BACE1 (0.59) BACE1BACE2
SCHEMBL7942132 0.82 BACE1 (0.52) BACE1
SCHEMBL7934650 0.82 BACE1 (0.53) BACE1BACE2
SCHEMBL7946582 0.82 BACE1 (0.53) BACE1BACE2
SCHEMBL7943456 0.82 BACE1 (0.49) BACE1
SCHEMBL7946565 0.82 BACE1 (0.57) BACE1BACE2
SCHEMBL7946595 0.82 BACE1 (0.47) BACE1

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 3 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
EP-2360155-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-08-24 EP 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 3/4885RPS6KA2 3180/4885

“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.