SCHEMBL1200653

SCHEMBL1200653

CCCN=C(N)NC(=O)c1cccc2[nH]c(NC(=O)Nc3cc4ccccc4cn3)nc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.46
CHEK1 O14757 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
RIPK1 Q13546 1/20 0.36
MAP3K7 O43318 1/20 0.36
MAP3K6 O95382 1/20 0.36
MAP3K5 Q99683 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
DHODH Q02127 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
ROCK2 O75116 1/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
NOTUM Q6P988 1/20 0.34
MAOB P27338 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL1200836 0.91 PARP1 (0.45) PARP1CHEK1HRH2HRH1MAP3K7
SCHEMBL1200840 0.90 PARP1 (0.45) PARP1CHEK1HRH2HRH1MAP3K7
SCHEMBL1200650 0.82 PARP1 (0.41) PARP1CHEK1RIPK1MAP3K7MAP3K6
SCHEMBL1202560 0.79 CHEK1 (0.49) PARP1CHEK1MAP3K7MAP3K6MAP3K5
SCHEMBL1201974 0.78 RIPK1 (0.51) PARP1CHEK1RIPK1MAP3K7MAP3K6
SCHEMBL1200833 0.77 PARP1 (0.41) PARP1CHEK1RIPK1MAP3K7MAP3K6
SCHEMBL1201924 0.76 CHEK1 (0.43) PARP1CHEK1MAP3K7MAP3K6MAP3K5
SCHEMBL1200838 0.76 PARP1 (0.40) PARP1CHEK1RIPK1MAP3K7MAP3K6
SCHEMBL8258975 0.70 MAOB (0.46) PARP1PARP2ROCK2MAOBADORA2A
SCHEMBL13639503 0.69 PARP1 (0.49) PARP1DHODHPARP2MAOBADORA2A

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 8 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-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-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 (4 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 PARP1 1741/4885CHEK1 2983/4885HRH2 1696/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP PARP1 1611/4885CHEK1 3144/4885HRH2 1783/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PARP1 1741/4885CHEK1 2983/4885HRH2 1696/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PARP1 1741/4885CHEK1 2983/4885HRH2 1696/4885

“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.