SCHEMBL85944

SCHEMBL85944

COc1cc2nc(NCCCn3ccnc3)sc(=O)c2cc1OC

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 10/20 0.74
TLR9 Q9NR96 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
ALOX15 P16050 1/20 0.45
QPCTL Q9NXS2 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP19A1 P11511 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 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
SCHEMBL77764 0.76 QPCT (1.00) QPCTTLR9TLR7KMT2AMEN1
SCHEMBL7268529 0.72 GSK3A (0.59) QPCTTLR9KMT2AMEN1KDM4E
SCHEMBL76506 0.70 QPCT (1.00) QPCTALOX15ALDH1A1SMN1; SMN2
SCHEMBL5217150 0.69 QPCT (0.76) QPCTALOX15ALDH1A1
SCHEMBL78603 0.69 QPCT (1.00) QPCTALOX15KMT2AMEN1KDM4E
SCHEMBL24648932 0.68 QPCT (0.67) QPCTALOX15ALDH1A1MAPK1
SCHEMBL6067843 0.67 QPCT (0.69) QPCTALOX15KMT2AALDH1A1
SCHEMBL4418263 0.67 QPCT (0.50) QPCTQPCTLKDM4EALDH1A1CYP19A1
SCHEMBL31216809 0.65 PDE5A (0.48) QPCTTLR9TLR7KMT2AMEN1
SCHEMBL5718359 0.65 CYP19A1 (0.56) QPCTKDM4EALDH1A1CYP19A1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2082041-B1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2018-03-14 EP disclosed
US-8809010-B2 Method for prophylactic treatment of alzheimer's disease using inhibitors of glutaminyl cyclase and glutamate cyclases PROBIODRUG AG (DE) 2014-08-19 US disclosed
US-8809010-B2 Method for prophylactic treatment of alzheimer's disease using inhibitors of glutaminyl cyclase and glutamate cyclases PROBIODRUG AG (DE) 2014-08-19 US disclosed
US-8647834-B2 Screening method for enzyme inhibitors PROBIODRUG AG (DE) 2014-02-11 US disclosed
US-8647834-B2 Screening method for enzyme inhibitors PROBIODRUG AG (DE) 2014-02-11 US disclosed
EP-2581449-A2 Novel genes related to glutaminyl cyclase Probiodrug AG (DE) 2013-04-17 EP disclosed
US-8338120-B2 Anticancer agents; therapy for infections; administering glutaminyl cyclase inhibitor such as 1-(3-(1H-imidazole-1-yl)propyl)-3-(3,4-dimethoxy-phenyl)thiourea hydrochloride; Alzheimer's disease; Down syndrome; controlling fertility; schizophrenia; skin disorders; dementia PROBIODRUG AG (DE) 2012-12-25 US disclosed
US-8338120-B2 Anticancer agents; therapy for infections; administering glutaminyl cyclase inhibitor such as 1-(3-(1H-imidazole-1-yl)propyl)-3-(3,4-dimethoxy-phenyl)thiourea hydrochloride; Alzheimer's disease; Down syndrome; controlling fertility; schizophrenia; skin disorders; dementia PROBIODRUG AG (DE) 2012-12-25 US disclosed
EP-2481408-A2 New use of glutaminyl cyclase inhibitors Probiodrug AG (DE) 2012-08-01 EP disclosed
US-20120183974-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-07-19 US disclosed
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-01-15 US disclosed
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-01-15 US disclosed
US-20080249083-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-09 US disclosed
US-20080249083-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-09 US disclosed
WO-2008104580-A1 NEW USE OF GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-09-04 WO disclosed
WO-2008034891-A2 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-03-27 WO disclosed
US-7304086-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-12-04 US disclosed
US-7304086-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-12-04 US disclosed
US-20070191366-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES PROBIODRUG AG (DE) 2007-08-16 US disclosed
US-20070191366-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES PROBIODRUG AG (DE) 2007-08-16 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-20070191366-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES GLS, QPCT, GLS2 QPCT 2/4885TLR9 4168/4885TLR7 4507/4885
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase GLS2, GLS, GLUL QPCT 5/4885TLR9 4638/4885TLR7 4616/4885
US-20080249083-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE QPCT, QPCTL, GLUL QPCT 1/4885TLR9 4702/4885TLR7 4747/4885

“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.