SCHEMBL4248458

SCHEMBL4248458

O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cc(C#Cc2ccccc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
ADORA2A P29274 2/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
DHODH Q02127 8/20 0.42
KDM4A O75164 1/20 0.42
PYGL P06737 1/20 0.41
PYGM P11217 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
PARP1 P09874 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
PAX8 Q06710 1/20 0.38
SLC16A3 O15427 1/20 0.38

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
SCHEMBL1202093 0.89 MAOB (0.42) MAOBADORA2AADORA2BADORA1KDM4A
SCHEMBL4244341 0.85 MAOB (0.48) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4235141 0.85 DHODH (0.53) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4240702 0.84 MAOB (0.47) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL1202645 0.83 MAOB (0.48) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4236059 0.82 MAOB (0.44) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4241550 0.81 DHODH (0.41) DHODHKDM4EHPGDPARP1
SCHEMBL1202261 0.80 MAOB (0.51) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4236211 0.80 MAOB (0.49) MAOBADORA2AADORA2BADORA1DHODH
SCHEMBL4243775 0.79 DHODH (0.41) MAOBADORA2AADORA2BADORA1DHODH

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-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
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 MAOB 269/4885ADORA2A 3841/4885ADORA2B 2520/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MAOB 269/4885ADORA2A 3841/4885ADORA2B 2520/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MAOB 269/4885ADORA2A 3841/4885ADORA2B 2520/4885

“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.