SCHEMBL3630133

SCHEMBL3630133

COc1cc(-c2cc(NCCCn3ccnc3)nc(-c3ccccc3)n2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 5/20 0.54
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
NAMPT P43490 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SOD1 P00441 1/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 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
SCHEMBL3631599 0.93 QPCT (0.50) QPCTGSK3AGSK3BSMN1; SMN2KDM4E
SCHEMBL3632199 0.88 QPCT (0.57) QPCTGSK3AGSK3BNAMPTSMN1; SMN2
SCHEMBL3629352 0.87 GSK3A (0.64) QPCTGSK3AGSK3BNAMPTSMN1; SMN2
SCHEMBL3629884 0.87 NAMPT (0.56) QPCTGSK3AGSK3BNAMPTSMN1; SMN2
SCHEMBL3631942 0.86 QPCT (0.52) QPCTSMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL3632114 0.84 GSK3A (0.60) QPCTGSK3AGSK3BNAMPTSMN1; SMN2
SCHEMBL3629432 0.84 GSK3A (0.60) QPCTGSK3AGSK3BNAMPTSMN1; SMN2
SCHEMBL3633442 0.83 GSK3A (0.57) GSK3AGSK3BNAMPTSMN1; SMN2KDM4E
SCHEMBL3627882 0.83 QPCT (0.56) QPCTGSK3AGSK3BNAMPTSMN1; SMN2
SCHEMBL3632003 0.82 SMN1; SMN2 (0.64) QPCTGSK3AGSK3BNAMPTSMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142536-B1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2015-10-21 EP claimed
US-8188094-B2 Imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2012-05-29 US claimed
EP-2142536-B1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2015-10-21 EP disclosed
US-8188094-B2 Imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2012-05-29 US disclosed
US-8188094-B2 Imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2012-05-29 US disclosed
US-8188094-B2 Imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2012-05-29 US disclosed
EP-2142536-A1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP disclosed
WO-2008128984-A1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
US-20080260688-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-23 US disclosed
US-20080260688-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-23 US disclosed
US-20080260688-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-23 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 (1 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-20080260688-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT QPCT 3/4885GSK3A 754/4885GSK3B 622/4885

“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.