SCHEMBL1201733

SCHEMBL1201733

CC(C)(O)C#Cc1cccc(C(=O)Nc2nc3c(C(=O)Nc4ncc[nH]4)cccc3[nH]2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.37
MAOB P27338 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSP90AA1 P07900 1/20 0.36
PAX8 Q06710 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
PARP1 P09874 2/20 0.35
KDR P35968 1/20 0.34
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34

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
SCHEMBL1202227 0.94 PTGES (0.37) PTGESMAOBADORA2AADORA2BADORA1
SCHEMBL1202380 0.88 MAOB (0.38) PTGESMAOBADORA2AADORA2BADORA1
SCHEMBL4236041 0.86 MAOB (0.43) MAOBADORA2AADORA2BADORA1NPC1
SCHEMBL1201956 0.86 MAOB (0.42) MAOBADORA2AADORA2BADORA1NPC1
SCHEMBL1201735 0.85 MAOB (0.43) MAOBADORA2AADORA2BADORA1NPC1
SCHEMBL1201004 0.85 RIPK1 (0.38) PTGESMAOBADORA2AADORA2BADORA1
SCHEMBL1202110 0.84 PTGES (0.38) PTGESMAOBADORA2AADORA2BADORA1
SCHEMBL12894558 0.84 MAOB (0.40) PTGESMAOBADORA2AADORA2BADORA1
SCHEMBL1202400 0.84 PTGES (0.39) PTGESMAOBADORA2AADORA2BADORA1
SCHEMBL1202274 0.84 NPC1 (0.39) MAOBADORA2AADORA2BADORA1NPC1

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 6 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

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 PTGES 2022/4885MAOB 269/4885ADORA2A 3841/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP PTGES 2274/4885MAOB 127/4885ADORA2A 3347/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PTGES 2022/4885MAOB 269/4885ADORA2A 3841/4885

“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.