SCHEMBL7941920

SCHEMBL7941920

Cc1c(C(=O)Nc2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)oc2ccc(F)cc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.57
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
HCRTR1 O43613 1/20 0.46
PPARG P37231 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
APP P05067 1/20 0.44
CTSD P07339 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
DGAT1 O75907 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7943972 0.92 BACE1 (0.59) BACE1MAPTRAB9ANPC1APP
SCHEMBL7943912 0.91 BACE1 (0.58) BACE1MAPTRAB9ANPC1APP
SCHEMBL7939146 0.90 BACE1 (0.67) BACE1MAPTRXFP1APPCTSD
SCHEMBL7932607 0.90 BACE1 (0.57) BACE1RAB9ANPC1APPCTSD
SCHEMBL7943927 0.90 BACE1 (0.61) BACE1MAPTTHRBHCRTR1RAB9A
SCHEMBL12301384 0.89 BACE1 (0.60) BACE1MAPTRAB9ANPC1RXFP1
SCHEMBL7943380 0.87 BACE1 (0.53) BACE1MAPTTHRBHCRTR1PPARG
SCHEMBL7944678 0.86 RAB9A (0.47) BACE1MAPTTHRBHCRTR1PPARG
SCHEMBL7941282 0.83 BACE1 (0.58) BACE1RAB9ANPC1APPCTSD
SCHEMBL297960 0.81 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 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 1/4885MAPT 38/4885THRB 617/4885

“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.