SCHEMBL1201848

SCHEMBL1201848

N#CCc1cccc(-c2cccc(C(=O)Nc3nc4c(C(=O)Nc5ncc[nH]5)cccc4[nH]3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.37
CNR2 P34972 2/20 0.37
PTGES O14684 6/20 0.35
ADORA2A P29274 2/20 0.35
MAOB P27338 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
PARP1 P09874 4/20 0.35
POLQ O75417 1/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 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
SCHEMBL1202075 0.90 CFD (0.48) CFDCNR2PTGESADORA2AMAOB
SCHEMBL4239215 0.88 CFD (0.42) CFDCNR2ADORA2AMAOBADORA2B
SCHEMBL1202216 0.87 IRAK4 (0.45) CNR2ADORA2AMAOBADORA2BADORA1
SCHEMBL1202273 0.87 MAOB (0.45) CNR2ADORA2AMAOBADORA2BADORA1
SCHEMBL9611629 0.85 ABL1 (0.41) CNR2PTGESADORA2AMAOBADORA2B
SCHEMBL9611662 0.85 NPC1 (0.43) CNR2ADORA2AMAOBADORA2BADORA1
SCHEMBL9611634 0.84 NPC1 (0.44) CNR2PTGESADORA2AMAOBADORA2B
SCHEMBL12894456 0.84 CNR2 (0.39) CNR2ADORA2AMAOBADORA2BADORA1
SCHEMBL12845969 0.83 CNR2 (0.44) CNR2ADORA2AMAOBADORA2BADORA1
SCHEMBL12845970 0.83 CNR2 (0.46) CNR2ADORA2AMAOBPARP1NPC1

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-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 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-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 CFD 3944/4885CNR2 2966/4885PTGES 2022/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP CFD 3426/4885CNR2 3079/4885PTGES 2274/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP CFD 3944/4885CNR2 2966/4885PTGES 2022/4885

“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.