SCHEMBL1201005

SCHEMBL1201005

N#Cc1cccc(-c2cccc(C(=O)Nc3nc4c(C(=O)Nc5ncc[nH]5)cccc4[nH]3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.57
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ABL1 P00519 1/20 0.44
PDE10A Q9Y233 1/20 0.43
MAOB P27338 3/20 0.43
ADORA2A P29274 2/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PARP1 P09874 5/20 0.41
PARP2 Q9UGN5 4/20 0.41
CDK12 Q9NYV4 3/20 0.41
TLK2 Q86UE8 1/20 0.41
NAMPT P43490 1/20 0.41
CDK1 P06493 1/20 0.41

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
SCHEMBL1201618 0.95 IRAK4 (0.62) IRAK4NPC1RAB9APDE10AMAOB
SCHEMBL1202317 0.95 IRAK4 (0.53) IRAK4NPC1RAB9AABL1PDE10A
SCHEMBL1202142 0.95 IRAK4 (0.50) IRAK4NPC1RAB9AABL1MAOB
SCHEMBL1201788 0.94 IRAK4 (0.51) IRAK4NPC1RAB9AABL1MAOB
SCHEMBL1201393 0.90 HDAC2 (0.51) IRAK4NPC1RAB9AABL1PDE10A
SCHEMBL1202216 0.88 IRAK4 (0.45) IRAK4NPC1RAB9AABL1MAOB
SCHEMBL1202398 0.88 NPC1 (0.59) IRAK4NPC1RAB9AMAOBADORA2A
SCHEMBL1201699 0.87 NPC1 (0.56) IRAK4NPC1RAB9AMAOBADORA2A
SCHEMBL4239705 0.86 IRAK4 (0.60) IRAK4NPC1RAB9AABL1MAOB
SCHEMBL8259014 0.86 MAOB (0.43) IRAK4NPC1RAB9AMAOBADORA2A

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 IRAK4 4792/4885NPC1 188/4885RAB9A 2719/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP IRAK4 4784/4885NPC1 190/4885RAB9A 2474/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP IRAK4 4792/4885NPC1 188/4885RAB9A 2719/4885

“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.