SCHEMBL4246148

SCHEMBL4246148

NC(=O)c1nc2c(C(=O)Nc3cccc(Oc4ccccc4)c3)cccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.53
DHODH Q02127 2/20 0.50
PLAU P00749 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
BRAF P15056 3/20 0.48
KDR P35968 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
PRKD3 O94806 1/20 0.44
PAK4 O96013 1/20 0.44
NTRK1 P04629 1/20 0.44
FYN P06241 1/20 0.44
RET P07949 1/20 0.44
MET P08581 1/20 0.44
PDGFRB P09619 1/20 0.44

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
SCHEMBL4239192 0.91 CHEK2 (0.57) CHEK2DHODHKDRLMNAMAPT
SCHEMBL4246152 0.87 DHODH (0.52) CHEK2DHODHPLAUSIRT2SIRT1
SCHEMBL4240843 0.85 TDP1 (0.53) CHEK2DHODHLMNAMAPTRAB9A
SCHEMBL4244333 0.80 PARP1 (0.48) DHODHKDRLMNAMAPTHPGD
SCHEMBL4248322 0.79 CSNK2A1 (0.53) DHODHBRAFKDRLMNAPIM1
SCHEMBL4246328 0.79 KDR (0.55) KDRMAPTHPGDRAB9AMAPK1
SCHEMBL4247671 0.78 CHEK2 (0.53) CHEK2DHODHGSK3BPOLB
SCHEMBL4235724 0.78 IMPDH2 (0.47) CHEK2PRKD3PIM1PRKACAGSK3A
SCHEMBL4246266 0.78 PKN1 (0.53) DHODHKDRLMNAHPGDRAB9A
SCHEMBL4239198 0.78 PNLIP (0.54) CHEK2DHODHKDRLMNAMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US claimed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO claimed
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 CHEK2 3480/4885DHODH 907/4885PLAU 2055/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP CHEK2 3480/4885DHODH 907/4885PLAU 2055/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP CHEK2 3480/4885DHODH 907/4885PLAU 2055/4885

“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.