SCHEMBL4239302

SCHEMBL4239302

NC(=O)c1nc2c(C(=O)Nc3nc4ncncc4[nH]3)cccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 3/20 0.45
PKN2 Q16513 3/20 0.45
PARP1 P09874 15/20 0.42
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP2 Q9UGN5 5/20 0.39
CDK12 Q9NYV4 3/20 0.38
PLK4 O00444 1/20 0.38
MAPK13 O15264 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
PIM1 P11309 1/20 0.38
PHKG2 P15735 1/20 0.38
PRKACA P17612 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
SCHEMBL4239312 0.87 PKN1 (0.41) PKN1PKN2PARP1NPC1MEN1
SCHEMBL4239203 0.82 IRAK4 (0.50) PKN1PKN2PARP1NPC1MEN1
SCHEMBL1202244 0.80 MAOB (0.42) PKN1PKN2PARP1NPC1MEN1
SCHEMBL788792 0.78 METAP2 (0.42) PKN1PKN2PARP1
SCHEMBL4243654 0.77 PARP1 (0.49) PARP1PARP2
SCHEMBL4235143 0.77 PARP1 (0.51) PKN1PKN2PARP1PARP2PLK4
SCHEMBL4235580 0.76 PARP1 (0.48) PKN1PKN2PARP1PARP2CHEK2
SCHEMBL4244352 0.76 PARP1 (0.46) PARP1PARP2
SCHEMBL4242633 0.76 PARP1 (0.46) PARP1
SCHEMBL4246266 0.75 PKN1 (0.53) PKN1PKN2PARP1NPC1MEN1

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 PKN1 2174/4885PKN2 1415/4885PARP1 1741/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PKN1 2174/4885PKN2 1415/4885PARP1 1741/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PKN1 2174/4885PKN2 1415/4885PARP1 1741/4885

“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.