SCHEMBL4244510

SCHEMBL4244510

Nc1nc2c(C(=O)Nc3ncc[nH]3)cc(NC(=O)c3ccccc3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAOB P27338 2/20 0.42
ADORA2A P29274 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.40
PLAU P00749 1/20 0.39
SCD O00767 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP13 P45452 2/20 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
SCHEMBL4244495 0.88 NPC1 (0.41) PTGESNPC1RAB9AMAOBADORA2A
SCHEMBL4235739 0.83 PTGES (0.46) PTGESNR2E3HPGDS
SCHEMBL1201674 0.82 MAOB (0.43) PTGESNPC1RAB9AMAOBADORA2A
SCHEMBL4235597 0.82 PTGES (0.38) PTGESHPGDS
SCHEMBL4237785 0.81 PNP (0.40) PTGESHDAC6HPGDS
SCHEMBL4237746 0.80 PTGES (0.39) PTGESRAB9ASMN1; SMN2
SCHEMBL1202218 0.80 PTGES (0.41) PTGESNPC1RAB9AHPGDS
SCHEMBL4235147 0.80 PARP1 (0.47) PTGESNPC1RAB9APKMSMN1; SMN2
SCHEMBL13572193 0.79 RAB9A (0.39) PTGESNPC1RAB9AMAOBADORA2A
SCHEMBL4244315 0.78 TBK1 (0.39) PTGESSMN1; SMN2MAPTABL1HPGDS

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
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP 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 PTGES 2022/4885NPC1 188/4885RAB9A 2719/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PTGES 2022/4885NPC1 188/4885RAB9A 2719/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PTGES 2022/4885NPC1 188/4885RAB9A 2719/4885

“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.