SCHEMBL4239381

SCHEMBL4239381

Nc1nc2c(C(=O)Nc3ncc(Cc4ccccc4)[nH]3)cccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.45
PARP1 P09874 6/20 0.40
BRS3 P32247 1/20 0.39
DHODH Q02127 2/20 0.38
MAOB P27338 3/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
TYMS P04818 1/20 0.36
PNP P00491 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 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
SCHEMBL4239376 0.88 PARP1 (0.43) AOC3PARP1DHODH
SCHEMBL4244355 0.86 VCP (0.42) PARP1DHODHNPC1RAB9APKN1
SCHEMBL4235587 0.82 SCN4A (0.45) PARP1DHODHMAOBADORA2AADORA2B
SCHEMBL1201652 0.82 MAOB (0.42) PARP1DHODHMAOBADORA2AADORA2B
SCHEMBL4242359 0.79 FGFR3 (0.41) PARP1MAOBADORA2ANPC1RAB9A
SCHEMBL4242638 0.78 PARP1 (0.41) PARP1DHODHPKN1PKN2PTGES
SCHEMBL11428622 0.77 PRKCI (0.50) PARP1DHODHNPC1MEN1RAB9A
SCHEMBL4235147 0.74 PARP1 (0.47) PARP1NPC1MEN1RAB9AKMT2A
SCHEMBL4244352 0.74 PARP1 (0.46) PARP1
SCHEMBL4239443 0.73 MEN1 (0.53) NPC1MEN1RAB9AKMT2ATP53

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 6 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-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 AOC3 702/4885PARP1 1741/4885BRS3 309/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP AOC3 702/4885PARP1 1741/4885BRS3 309/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP AOC3 702/4885PARP1 1741/4885BRS3 309/4885

“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.