SCHEMBL1201209

SCHEMBL1201209

COC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C#Cc4cccc(S(C)(=O)=O)c4)n3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
MAOB P27338 2/20 0.40
ADORA2A P29274 2/20 0.40
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HSP90AA1 P07900 1/20 0.37
PKM P14618 1/20 0.37
PAX8 Q06710 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
HAO1 Q9UJM8 2/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
POLB P06746 1/20 0.35
KLF5 Q13887 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL1202359 0.92 MAOB (0.40) MAOBADORA2AHAO1ADORA2BADORA1
SCHEMBL1201054 0.88 RIPK1 (0.48) RIPK1MAOBADORA2APKN1PKN2
SCHEMBL1201942 0.86 POLB (0.35) MAOBADORA2ANPC1RAB9AHSP90AA1
SCHEMBL4237819 0.82 MAOB (0.46) MAOBADORA2ANPC1RAB9AHSP90AA1
SCHEMBL4243775 0.81 DHODH (0.41) MAOBADORA2ANPC1RAB9AHSP90AA1
SCHEMBL1202645 0.80 MAOB (0.48) MAOBADORA2ANPC1RAB9APKM
SCHEMBL1201682 0.79 MAPK8 (0.40) MAOBADORA2AADORA2BADORA1
SCHEMBL4239400 0.79 DHODH (0.45) MAOBADORA2ANPC1RAB9APKM
SCHEMBL4244175 0.78 MAOB (0.45) RIPK1MAOBADORA2ANPC1RAB9A
SCHEMBL4241735 0.76 NPC1 (0.44) RIPK1MAOBADORA2ANPC1RAB9A

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 9 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-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 (4 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 RIPK1 3079/4885MAOB 269/4885ADORA2A 3841/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP RIPK1 2536/4885MAOB 127/4885ADORA2A 3347/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP RIPK1 3079/4885MAOB 269/4885ADORA2A 3841/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RIPK1 3079/4885MAOB 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.