SCHEMBL7934652

SCHEMBL7934652

CN1C(=O)CC(C)(c2cccc(NC(=O)c3cnc4ccccc4n3)c2)N=C1N

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.74
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL7943408 0.89 BACE1 (0.71) BACE1SMN1; SMN2RAB9A
SCHEMBL286818 0.89 BACE1 (0.71) BACE1SMN1; SMN2RAB9A
SCHEMBL287127 0.88 BACE1 (0.78) BACE1
SCHEMBL7941222 0.87 BACE1 (0.77) BACE1
SCHEMBL298011 0.87 BACE1 (0.77) BACE1
SCHEMBL287101 0.87 BACE1 (0.74) BACE1
SCHEMBL7942244 0.86 BACE1 (0.56) BACE1SMN1; SMN2NPC1GAAMAPT
SCHEMBL287115 0.86 BACE1 (0.84) BACE1
SCHEMBL7941420 0.86 BACE1 (0.84) BACE1
SCHEMBL7940234 0.85 BACE1 (0.83) 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 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 1/4885SMN1; SMN2 576/4885NPC1 431/4885

“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.