SCHEMBL1201974

SCHEMBL1201974

COC(=O)c1cccc2[nH]c(NC(=O)Nc3cc4ccccc4cn3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.51
CHEK1 O14757 1/20 0.47
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
PARP1 P09874 1/20 0.45
KDM4E B2RXH2 5/20 0.43
MAP3K7 O43318 1/20 0.43
MAP3K6 O95382 1/20 0.43
MAP3K5 Q99683 1/20 0.43
MAOB P27338 1/20 0.43
ADORA2A P29274 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
CDK1 P06493 1/20 0.42
KDR P35968 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
CRBN Q96SW2 1/20 0.41

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
SCHEMBL1202560 0.88 CHEK1 (0.49) CHEK1PARP1KDM4EMAP3K7MAP3K6
SCHEMBL1202315 0.84 RIPK1 (0.52) RIPK1PKN1PKN2PARP1KDM4E
SCHEMBL1201924 0.81 CHEK1 (0.43) CHEK1PARP1MAP3K7MAP3K6MAP3K5
SCHEMBL1200650 0.79 PARP1 (0.41) RIPK1CHEK1PARP1MAP3K7MAP3K6
SCHEMBL1200653 0.78 PARP1 (0.46) RIPK1CHEK1PARP1MAP3K7MAP3K6
SCHEMBL1202174 0.77 PKN1 (0.59) RIPK1PKN1PKN2PARP1CDK1
SCHEMBL1200833 0.76 PARP1 (0.41) RIPK1CHEK1PARP1KDM4EMAP3K7
SCHEMBL1200838 0.76 PARP1 (0.40) RIPK1CHEK1PARP1KDM4EMAP3K7
SCHEMBL1200836 0.76 PARP1 (0.45) CHEK1PARP1MAP3K7MAP3K6MAP3K5
SCHEMBL1200840 0.75 PARP1 (0.45) CHEK1PARP1MAP3K7MAP3K6MAP3K5

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 11 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-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
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 (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 RIPK1 3079/4885CHEK1 2983/4885PKN1 2174/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP RIPK1 2536/4885CHEK1 3144/4885PKN1 2194/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP RIPK1 3079/4885CHEK1 2983/4885PKN1 2174/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RIPK1 3079/4885CHEK1 2983/4885PKN1 2174/4885

“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.