SCHEMBL4239761

SCHEMBL4239761

CCOc1cc(C(=O)Nc2ncc[nH]2)c2[nH]c(N)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
PTGES O14684 11/20 0.41
GCK P35557 1/20 0.37
TYMS P04818 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
FGFR3 P22607 1/20 0.34

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
SCHEMBL4237753 0.92 HPGDS (0.42) HPGDSPTGESSMN1; SMN2HTTTP53
SCHEMBL4234877 0.91 HPGDS (0.44) HPGDSPTGESSMN1; SMN2MEN1HTT
SCHEMBL4234889 0.89 HPGDS (0.53) HPGDSPTGESSMN1; SMN2MEN1KMT2A
SCHEMBL4239757 0.88 HPGDS (0.42) HPGDSPTGESGCKSMN1; SMN2MEN1
SCHEMBL4244438 0.87 HPGDS (0.43) HPGDSPTGESMEN1KMT2A
SCHEMBL4242577 0.86 HPGDS (0.41) HPGDSPTGESGCK
SCHEMBL4243793 0.84 PTGES (0.43) HPGDSPTGESGCKMEN1KMT2A
SCHEMBL4244769 0.82 PTGES (0.40) HPGDSPTGESGCKTYMSFGFR3
SCHEMBL4234934 0.82 PTGES (0.40) HPGDSPTGESSMN1; SMN2POLBHTT
SCHEMBL1201671 0.80 HPGDS (0.42) HPGDSPTGESSMN1; SMN2MEN1POLB

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 HPGDS 2231/4885PTGES 2022/4885GCK 3431/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP HPGDS 2231/4885PTGES 2022/4885GCK 3431/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HPGDS 2231/4885PTGES 2022/4885GCK 3431/4885

“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.