SCHEMBL1201732

SCHEMBL1201732

Nc1nccc(NC(=O)c2cccc3[nH]c(NC(=O)c4cc5ccccc5cn4)nc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.41
MAOB P27338 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
PARP1 P09874 7/20 0.39
KDR P35968 2/20 0.39
MAP3K5 Q99683 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PARP2 Q9UGN5 4/20 0.37
CDK12 Q9NYV4 3/20 0.37
ROCK2 O75116 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL1200591 0.87 NPC1 (0.48) MAOBADORA2AADORA2BADORA1MAP3K5
SCHEMBL8258975 0.84 MAOB (0.46) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL1200784 0.84 MAOB (0.43) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL13639503 0.83 PARP1 (0.49) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL1201879 0.83 MAOB (0.43) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL1202261 0.82 MAOB (0.51) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL1202257 0.81 IRAK4 (0.48) MAOBADORA2AADORA2BADORA1NPC1
SCHEMBL1202106 0.81 IDO1 (0.51) MAOBADORA2AADORA2BADORA1KDR
SCHEMBL1201636 0.81 MAOB (0.49) MAOBADORA2AADORA2BADORA1NPC1
SCHEMBL1201787 0.81 MAOB (0.43) MAOBADORA2AADORA2BADORA1MAP3K5

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-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-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-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 HRH4 2340/4885MAOB 269/4885ADORA2A 3841/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP HRH4 2403/4885MAOB 127/4885ADORA2A 3347/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HRH4 2340/4885MAOB 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.