SCHEMBL7940477

SCHEMBL7940477

Nc1ncccc1NCc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
GRM4 Q14833 3/20 0.46
FADS1 O60427 1/20 0.45
CES1 P23141 1/20 0.45
GPR27 Q9NS67 2/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
AURKB Q96GD4 1/20 0.44
BACE1 P56817 2/20 0.44
HTT P42858 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44

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
SCHEMBL7943486 0.87 NPC1 (0.48) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL7943303 0.86 BACE1 (0.52) BACE1
SCHEMBL7935604 0.86 BACE1 (0.49) GRM4GPR27BACE1
SCHEMBL7942897 0.85 JAK2 (0.51) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL7942885 0.84 BACE1 (0.61) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL7940554 0.84 BACE1 (0.47) NPC1GRM4FADS1AURKAAURKB
SCHEMBL7941823 0.83 BACE1 (0.46) GRM4AURKAAURKBBACE1
SCHEMBL7944835 0.83 BACE1 (0.54) NPC1RAB9AGRM4BACE1
SCHEMBL7939890 0.83 NPC1 (0.46) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7945292 0.82 BACE1 (0.52) 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 MEN1 1150/4885KMT2A 1020/4885NPC1 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.