SCHEMBL7944993

SCHEMBL7944993

COc1ccc2oc(C(=O)Nc3ccnc(CNc4cccnc4N)c3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
BACE1 P56817 2/20 0.48
MAPT P10636 4/20 0.46
TP53 P04637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TAS1R3 Q7RTX0 4/20 0.45
TAS1R1 Q7RTX1 4/20 0.45
ALDH1A1 P00352 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
BCAT1 P54687 1/20 0.44
MAOB P27338 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL7932672 0.89 BACE1 (0.62) HPGDBACE1MAPTTP53NPC1
SCHEMBL7946768 0.87 NPC1 (0.47) BACE1MAPTTP53NPC1RAB9A
SCHEMBL7946790 0.87 RAB9A (0.55) HPGDBACE1MAPTTP53NPC1
SCHEMBL7941949 0.86 NPC1 (0.55) HPGDMAPTTP53NPC1RAB9A
SCHEMBL7945106 0.86 AURKA (0.47) HPGDBACE1MAPTTP53NPC1
SCHEMBL7943411 0.85 NPC1 (0.57) HPGDMAPTTP53NPC1RAB9A
SCHEMBL7941383 0.84 RAB9A (0.53) BACE1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL7941890 0.82 BACE1 (0.59) BACE1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7945630 0.80 BACE1 (0.55) BACE1MEN1KMT2A
SCHEMBL7940417 0.80 HPGD (0.48) HPGDBACE1MAPTTP53NPC1

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 HPGD 3195/4885BACE1 1/4885MAPT 38/4885

“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.