SCHEMBL4239203

SCHEMBL4239203

NC(=O)c1nc2c(C(=O)Nc3nc4ccncc4[nH]3)cccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.50
NPC1 O15118 7/20 0.47
RAB9A P51151 6/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 3/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
BACE1 P56817 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
PKN1 Q16512 3/20 0.44
PKN2 Q16513 3/20 0.44
HSP90AA1 P07900 1/20 0.44
PAX8 Q06710 1/20 0.44
PLK4 O00444 1/20 0.44
MAPK13 O15264 1/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44

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
SCHEMBL4239209 0.87 IRAK4 (0.52) IRAK4NPC1RAB9AMEN1KMT2A
SCHEMBL4239302 0.82 PKN1 (0.45) NPC1RAB9AMEN1KMT2APKM
SCHEMBL4246266 0.80 PKN1 (0.53) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL4235143 0.80 PARP1 (0.51) PKN1PKN2PLK4MAPK13DYRK3
SCHEMBL1202257 0.79 IRAK4 (0.48) IRAK4NPC1RAB9AMEN1KMT2A
SCHEMBL4235724 0.78 IMPDH2 (0.47) PKN1PKN2PLK4MAPK13DYRK3
SCHEMBL4243654 0.78 PARP1 (0.49) PARP1PARP2
SCHEMBL4242633 0.74 PARP1 (0.46) PARP1DHODH
SCHEMBL4248668 0.74 PARP1 (0.45) PARP1PARP2
SCHEMBL4244352 0.74 PARP1 (0.46) PARP1PARP2

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 IRAK4 4792/4885NPC1 188/4885RAB9A 2719/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP IRAK4 4792/4885NPC1 188/4885RAB9A 2719/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP IRAK4 4792/4885NPC1 188/4885RAB9A 2719/4885

“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.