SCHEMBL4239506

SCHEMBL4239506

CS(=O)(=O)c1cccc(-c2cccc(C(=O)Nc3nc4c(C(=O)O)cccc4[nH]3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.43
ATM Q13315 1/20 0.43
ATR Q13535 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
MAOB P27338 2/20 0.42
ADORA2A P29274 2/20 0.42
CNR2 P34972 2/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
KAT6A Q92794 1/20 0.42
DHODH Q02127 5/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4A O75164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
PARP1 P09874 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL4235027 0.90 MAOB (0.43) PRKDCATRMAOBADORA2AADORA2B
SCHEMBL1202084 0.89 IRAK4 (0.40) PRKDCATMATRIRAK4MAOB
SCHEMBL4242624 0.87 DHODH (0.52) MAOBADORA2ACNR2ADORA2BADORA1
SCHEMBL4235195 0.83 IRAK4 (0.47) PRKDCATRIRAK4MAOBADORA2A
SCHEMBL4241698 0.83 CFD (0.55) MAOBADORA2ACNR2ADORA2BADORA1
SCHEMBL1202359 0.81 MAOB (0.40) IRAK4MAOBADORA2AADORA2BADORA1
SCHEMBL9611633 0.81 KDM4E (0.42) MAOBADORA2ACNR2ADORA2BADORA1
SCHEMBL4239215 0.81 CFD (0.42) MAOBADORA2ACNR2ADORA2BADORA1
SCHEMBL1202270 0.80 PARP1 (0.38) PRKDCATMATRMAOBADORA2A
SCHEMBL9611650 0.79 RIPK1 (0.52) IRAK4MAOBADORA2ACNR2ADORA2B

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 7 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
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 PRKDC 3256/4885ATM 3519/4885ATR 2558/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PRKDC 3256/4885ATM 3519/4885ATR 2558/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PRKDC 3256/4885ATM 3519/4885ATR 2558/4885

“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.