SCHEMBL7942892

SCHEMBL7942892

Cc1cc(C(=O)Nc2cccc(CNc3cccnc3N)c2)on1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.61
ALOX12 P18054 1/20 0.54
GLA P06280 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 4/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.45
KDR P35968 2/20 0.44
AURKA O14965 1/20 0.42
AURKB Q96GD4 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
SCHEMBL7933462 0.87 BACE1 (0.71) BACE1KDRAURKAAURKB
SCHEMBL7944281 0.87 ALOX12 (0.53) BACE1ALOX12GLAHTTL3MBTL1
SCHEMBL7939889 0.86 BACE1 (0.66) BACE1GLAHTTTP53NPC1
SCHEMBL7944660 0.85 BACE1 (0.62) BACE1HTTNPC1RAB9AKDR
SCHEMBL7939665 0.85 KMT2A (0.53) BACE1ALOX12GLAHTTL3MBTL1
SCHEMBL7941334 0.82 BACE1 (0.78) BACE1HTTTP53NPC1RAB9A
SCHEMBL7942688 0.81 BACE1 (0.60) BACE1KMT2ANPC1RAB9AMEN1
SCHEMBL7939893 0.81 BACE1 (0.60) BACE1GLANPC1RAB9AKDR
SCHEMBL12301760 0.81 BACE1 (0.59) BACE1GLAHTTL3MBTL1TP53
SCHEMBL7933424 0.81 BACE1 (0.73) BACE1KMT2AMEN1KDRAURKA

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 1/4885ALOX12 4139/4885GLA 399/4885

“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.