SCHEMBL7944484

SCHEMBL7944484

CN1C(=O)CC(C)(c2cc(NC(=O)c3cc4ccccc4[nH]3)ccn2)N=C1N

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 5/20 0.44
PIK3CA P42336 5/20 0.44
IDO1 P14902 1/20 0.44
APP P05067 1/20 0.43
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
SCN3A Q9NY46 2/20 0.42
SCN4A P35499 1/20 0.41

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
SCHEMBL7941827 0.89 BACE1 (0.51) BACE1NPC1RAB9AAPP
SCHEMBL7941922 0.86 BACE1 (0.63) BACE1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL12445808 0.85 NPC1 (0.47) BACE1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL7944183 0.84 BACE1 (0.57) BACE1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL7942197 0.82 BACE1 (0.58) BACE1
SCHEMBL7941811 0.82 MAPT (0.50) BACE1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL7942251 0.82 BACE1 (0.55) BACE1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL7944502 0.82 BACE1 (0.51) BACE1APP
SCHEMBL7942244 0.81 BACE1 (0.56) BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL12303332 0.80 BACE1 (0.59) BACE1NPC1RAB9ASMN1; SMN2

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 1/4885NPC1 431/4885RAB9A 1287/4885

“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.