SCHEMBL7944683

SCHEMBL7944683

Cc1c(C(=O)Nc2ccnc(C3(C)CC(=O)N(C)C(N)=N3)c2)oc2ccc(O)cc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.44
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
MAPT P10636 1/20 0.38
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7939848 0.93 MAPT (0.45) BACE1RAB9ANPC1MAPTMEN1
SCHEMBL7933355 0.91 BACE1 (0.49) BACE1LMNARAB9ANPC1MAPT
SCHEMBL7944678 0.91 RAB9A (0.47) BACE1MAPK1RAB9ANPC1MAPT
SCHEMBL7944668 0.91 BACE1 (0.51) BACE1HTTRAB9AMAPTMEN1
SCHEMBL7942114 0.90 LMNA (0.50) BACE1LMNAMAPK1HTTRAB9A
SCHEMBL7933361 0.90 NPC1 (0.49) BACE1LMNARAB9ANPC1MAPT
SCHEMBL7943912 0.86 BACE1 (0.58) BACE1RAB9ANPC1MAPT
SCHEMBL7933972 0.85 BACE1 (0.52) BACE1MAPT
SCHEMBL7939594 0.84 BACE1 (0.44) BACE1LMNARAB9ANPC1MAPT
SCHEMBL7933199 0.82 BACE1 (0.44) 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 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 1/4885LMNA 1540/4885MAPK1 1841/4885

“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.