SCHEMBL1201877

SCHEMBL1201877

O=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 3/20 0.47
PKN2 Q16513 3/20 0.47
MAOB P27338 3/20 0.47
ADORA2A P29274 3/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
PARP1 P09874 3/20 0.46
PARP2 Q9UGN5 1/20 0.46
RAD52 P43351 1/20 0.43
UHRF1 Q96T88 1/20 0.43
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
PKM P14618 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KLF5 Q13887 2/20 0.42
PLK4 O00444 1/20 0.42
MAPK13 O15264 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42

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
SCHEMBL1202079 0.93 MAOB (0.53) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL1201653 0.90 PARP1 (0.49) PKN1PKN2MAOBADORA2AADORA2B
SCHEMBL1201699 0.89 NPC1 (0.56) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL1200778 0.88 MAOB (0.47) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL1202114 0.88 NPC1 (0.58) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL1202142 0.86 IRAK4 (0.50) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL1202398 0.86 NPC1 (0.59) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL4238754 0.85 MAOB (0.55) PKN1PKN2MAOBADORA2AADORA2B
SCHEMBL1202155 0.84 MAOB (0.46) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL8259014 0.84 MAOB (0.43) MAOBADORA2AADORA2BADORA1PARP1

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 12 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
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-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
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO 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 PKN1 2174/4885PKN2 1415/4885MAOB 269/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP PKN1 2194/4885PKN2 1402/4885MAOB 127/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PKN1 2174/4885PKN2 1415/4885MAOB 269/4885

“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.