SCHEMBL4247673

SCHEMBL4247673

Nc1nc2c(C(=O)NCCc3ccc(Oc4ccccc4)cc3)cccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.49
DHODH Q02127 2/20 0.48
PDE10A Q9Y233 3/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
PLAAT3 P53816 2/20 0.46
PLAAT5 Q96KN8 2/20 0.46
PLAAT2 Q9NWW9 2/20 0.46
PLAAT4 Q9UL19 2/20 0.46
PARP1 P09874 2/20 0.45
EPHX2 P34913 3/20 0.44
LTA4H P09960 2/20 0.44
GSK3B P49841 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL4247671 0.88 CHEK2 (0.53) CHEK2DHODHPDE10AABCG2PLAAT3
SCHEMBL4239198 0.81 PNLIP (0.54) CHEK2DHODHALDH1A1
SCHEMBL1201895 0.79 PDE10A (0.43) CHEK2DHODHPDE10AABCG2EPHX2
SCHEMBL4246152 0.78 DHODH (0.52) CHEK2DHODHALDH1A1
SCHEMBL4243739 0.78 HTT (0.58) KDM4E
SCHEMBL5333943 0.77 PARP1 (0.56) PDE10APARP1GSK3BKDM4EALDH1A1
SCHEMBL4239156 0.75 TSHR (0.55) PARP1
SCHEMBL4240847 0.75 TDP1 (0.55) CHEK2DHODHALDH1A1
SCHEMBL4246131 0.75 NPC1 (0.50) PDE10AKDM4EALDH1A1
SCHEMBL24754416 0.75 PARP1 (0.51) PARP1

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 6 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-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 907/4885PDE10A 2048/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP CHEK2 3480/4885DHODH 907/4885PDE10A 2048/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP CHEK2 3480/4885DHODH 907/4885PDE10A 2048/4885

“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.