SCHEMBL4247281

SCHEMBL4247281

Nc1nc2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.65
RAB9A P51151 13/20 0.65
PKM P14618 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MAOB P27338 1/20 0.65
ADORA2A P29274 1/20 0.65
TP53 P04637 2/20 0.63
KLF5 Q13887 2/20 0.63
SCD O00767 1/20 0.63
OPRK1 P41145 1/20 0.63
KDM4E B2RXH2 1/20 0.63
HSD17B10 Q99714 1/20 0.63
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
IRAK4 Q9NWZ3 1/20 0.60

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
SCHEMBL4247279 0.85 NPC1 (0.63) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2957526 0.85 NPC1 (0.68) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL9963858 0.84 RAB9A (0.76) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL11703736 0.84 NPC1 (0.91) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL5809302 0.83 JAK2 (0.59) NPC1RAB9AKDM4EHSD17B10MEN1
SCHEMBL16562173 0.83 NPC1 (0.78) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL11703862 0.83 NPC1 (0.83) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL13076211 0.82 NPC1 (0.73) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL11705464 0.82 RAB9A (0.72) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL4243771 0.81 HPGDS (0.47) NPC1RAB9APKMSMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US claimed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP claimed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO claimed
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-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP 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 (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 NPC1 188/4885RAB9A 2719/4885PKM 3404/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885PKM 3404/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885PKM 3404/4885

“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.