SCHEMBL4239803

SCHEMBL4239803

NC(=O)c1nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)Nc3ncc[nH]3)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.39
F2 P00734 1/20 0.39
BRAF P15056 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
PIK3CA P42336 4/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CG P48736 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CASP1 P29466 1/20 0.36
AURKA O14965 2/20 0.35
AURKB Q96GD4 1/20 0.35
GRM4 Q14833 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4239815 0.89 PIK3CA (0.39) CHEK2F2MMP2MMP9MMP8
SCHEMBL4239799 0.87 NAMPT (0.38) ITGB3ITGAVALDH1A1LMNASMN1; SMN2
SCHEMBL4247703 0.83 ALDH1A1 (0.41) BRAFALDH1A1MAPK1HSD17B10AURKA
SCHEMBL1201712 0.82 GPR27 (0.38) MMP2MMP9MMP8MMP13PIK3CA
SCHEMBL4248488 0.82 IKBKB (0.42) CHEK2
SCHEMBL4242362 0.81 PLAU (0.43) MMP2MMP9MMP8MMP13LMNA
SCHEMBL4243619 0.80 HPGDS (0.37) LMNASMN1; SMN2
SCHEMBL4234929 0.79 PTGES (0.37) LMNASMN1; SMN2
SCHEMBL4242575 0.78 FAAH (0.41) CHEK2MMP13
SCHEMBL4243786 0.78 PTGES (0.40) PIK3CA

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 9 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-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 (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 CHEK2 3480/4885F2 3827/4885BRAF 3990/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP CHEK2 3480/4885F2 3827/4885BRAF 3990/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP CHEK2 3480/4885F2 3827/4885BRAF 3990/4885

“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.