SCHEMBL77764

SCHEMBL77764

COc1ccc2nc(NCCCn3ccnc3)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 6/20 1.00
KMT2A Q03164 4/20 0.55
TP53 P04637 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 2/20 0.53
CD274 Q9NZQ7 1/20 0.53
MEN1 O00255 3/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
MAOB P27338 1/20 0.49
CASP2 P42575 1/20 0.49
ATM Q13315 1/20 0.49
TLR9 Q9NR96 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
BCHE P06276 1/20 0.48

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
SCHEMBL5217150 0.84 QPCT (0.76) QPCTALDH1A1
SCHEMBL78603 0.84 QPCT (1.00) QPCTKMT2AMAPK1RAB9AMEN1
SCHEMBL76506 0.82 QPCT (1.00) QPCTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6067843 0.80 QPCT (0.69) QPCTKMT2ARAB9ANPC1MAPT
SCHEMBL21814758 0.78 QPCT (0.63) QPCTKMT2ATP53RAB9ACD274
SCHEMBL12963106 0.77 RAB9A (0.63) QPCTKMT2ATP53RAB9ACD274
SCHEMBL24648675 0.77 QPCT (0.61) QPCTKMT2ATP53MAPK1SMN1; SMN2
SCHEMBL29888498 0.77 QPCT (0.61) QPCTKMT2ATP53MAPK1SMN1; SMN2
SCHEMBL85944 0.76 QPCT (0.74) QPCTKMT2ATP53MAPK1MEN1
SCHEMBL9849550 0.75 QPCT (0.60) QPCTKMT2ATP53MAPK1RAB9A

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 21 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-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
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-20120184518-A1 METHODS OF TREATING OR PREVENTING AN INFLAMMATORY DISEASE OR CONDITION USING GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2012-07-19 US disclosed
US-8129160-B2 Method of screening for inhibitors of glutaminyl cyclase activity PROBIODRUG AG (DE) 2012-03-06 US disclosed
US-7897633-B2 Neuronal disorders such as Alzheimer's disease, Down Syndrome, Parkinson disease, Chorea Huntington, pathogenic psychotic conditions, schizophrenia, impaired food intake, sleep-wakefulness, impaired homeostatic regulation of energy metabolism, impaired autonomic function; alcoholism PROBIODRUG AG (DE) 2011-03-01 US disclosed
US-20100040575-A1 USE OF INHIBITORS OF GLUTAMINYL CYCLASE AND GLUTAMATE CYCLASE FOR TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES PROBIODRUG AG (DE) 2010-02-18 US disclosed
US-20100009337-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2010-01-14 US disclosed
US-20090068699-A1 USE OF GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2009-03-12 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-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
EP-1713780-A2 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2006-10-25 EP disclosed
US-20050215573-A1 Novel inhibitors of glutaminyl cyclase PROBIODRUG AG 2005-09-29 US disclosed
WO-2005075436-A2 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2005-08-18 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 (7 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 2/4885KMT2A 3778/4885TP53 4454/4885
US-20100040575-A1 USE OF INHIBITORS OF GLUTAMINYL CYCLASE AND GLUTAMATE CYCLASE FOR TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES QPCT, GLS, GLUL QPCT 1/4885KMT2A 3450/4885TP53 4165/4885
US-20090068699-A1 USE OF GLUTAMINYL CYCLASE INHIBITORS QPCT, GGCT, GLS QPCT 1/4885KMT2A 1721/4885TP53 434/4885
US-20120184518-A1 METHODS OF TREATING OR PREVENTING AN INFLAMMATORY DISEASE OR CONDITION USING GLUTAMINYL CYCLASE INHIBITORS QPCT, GGCT, GLUL QPCT 1/4885KMT2A 2153/4885TP53 980/4885
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase GLS2, GLS, GLUL QPCT 5/4885KMT2A 591/4885TP53 4113/4885
US-20050215573-A1 Novel inhibitors of glutaminyl cyclase GLS2, GLS, GLUL QPCT 5/4885KMT2A 591/4885TP53 4113/4885
US-20080249083-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE QPCT, QPCTL, GLUL QPCT 1/4885KMT2A 1699/4885TP53 4138/4885

“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.