SCHEMBL12845950

SCHEMBL12845950

Cn1c(CNC(=O)c2cccc3[nH]c(NC(=O)c4cc5ccccc5cn4)nc23)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CBLB Q13191 1/20 0.39
STING1 Q86WV6 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RECQL P46063 1/20 0.38
SYK P43405 1/20 0.37
MAOB P27338 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
PDE10A Q9Y233 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL1200785 0.83 RAB9A (0.53) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1201455 0.82 ROCK2 (0.39) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1202090 0.80 LOX (0.40) MAPTSMN1; SMN2MAOBADORA2AADORA2B
SCHEMBL8258975 0.79 MAOB (0.46) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1200872 0.79 RIPK1 (0.49) MEN1KMT2ARAB9AMAOBADORA2A
SCHEMBL1201777 0.79 MAPT (0.40) MAPTKMT2ASMN1; SMN2MAOBADORA2A
SCHEMBL1200670 0.79 PSMD14 (0.44) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1202258 0.79 HPGD (0.49) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4381908 0.79 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1202333 0.78 PTGES (0.41) CBLBSMN1; SMN2NPC1RAB9AMAOB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US 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 (3 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MAPT 85/4885MEN1 2918/4885KMT2A 4094/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP MAPT 102/4885MEN1 3092/4885KMT2A 4117/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MAPT 85/4885MEN1 2918/4885KMT2A 4094/4885

“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.