SCHEMBL4246153

SCHEMBL4246153

N#Cc1cccc(-c2cc(C(=O)Nc3nc4c(C(=O)O)cccc4[nH]3)ccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.54
MAOB P27338 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
PARP1 P09874 6/20 0.43
PRKDC P78527 1/20 0.43
ATR Q13535 1/20 0.43
KAT6A Q92794 1/20 0.42
PARP2 Q9UGN5 5/20 0.42
CDK12 Q9NYV4 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
GRM5 P41594 1/20 0.41
PDE10A Q9Y233 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 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
SCHEMBL4239705 0.92 IRAK4 (0.60) IRAK4MAOBADORA2AADORA2BADORA1
SCHEMBL1202317 0.89 IRAK4 (0.53) IRAK4MAOBADORA2AADORA2BADORA1
SCHEMBL4242710 0.88 IRAK4 (0.68) IRAK4MAOBADORA2AADORA2BADORA1
SCHEMBL4235663 0.87 HDAC2 (0.52) IRAK4MAOBADORA2AADORA2BADORA1
SCHEMBL4247108 0.85 MAOB (0.54) IRAK4MAOBADORA2AADORA2BADORA1
SCHEMBL4244085 0.85 IRAK4 (0.53) IRAK4MAOBADORA2AADORA2BADORA1
SCHEMBL4235195 0.84 IRAK4 (0.47) IRAK4MAOBADORA2AADORA2BADORA1
SCHEMBL1201005 0.83 IRAK4 (0.57) IRAK4MAOBADORA2AADORA2BADORA1
SCHEMBL9611644 0.80 MAOB (0.48) IRAK4MAOBADORA2AADORA2BADORA1
SCHEMBL1201618 0.80 IRAK4 (0.62) IRAK4MAOBADORA2AADORA2BADORA1

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 7 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-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 IRAK4 4792/4885MAOB 269/4885ADORA2A 3841/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP IRAK4 4792/4885MAOB 269/4885ADORA2A 3841/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP IRAK4 4792/4885MAOB 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.