SCHEMBL3627889

SCHEMBL3627889

Clc1ccc(-c2nc(NCCCn3ccnc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
ALDH1A1 P00352 5/20 0.55
NPC1 O15118 2/20 0.55
MAPK1 P28482 1/20 0.55
NAMPT P43490 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 3/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 2/20 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
SCHEMBL3629352 0.94 GSK3A (0.64) KDM4ETDP1GSK3AGSK3BALDH1A1
SCHEMBL3632114 0.90 GSK3A (0.60) KDM4EGSK3AGSK3BALDH1A1NPC1
SCHEMBL3629432 0.90 GSK3A (0.60) KDM4EGSK3AGSK3BALDH1A1NPC1
SCHEMBL3633442 0.90 GSK3A (0.57) KDM4EGSK3AGSK3BALDH1A1NPC1
SCHEMBL3631421 0.90 GSK3A (0.60) KDM4ETDP1GSK3AGSK3BALDH1A1
SCHEMBL3631617 0.86 SMN1; SMN2 (0.67) KDM4EGSK3AGSK3BALDH1A1NPC1
SCHEMBL3632003 0.86 SMN1; SMN2 (0.64) KDM4EGSK3AGSK3BALDH1A1NPC1
SCHEMBL3630264 0.86 GSK3A (0.53) KDM4EGSK3AGSK3BALDH1A1NPC1
SCHEMBL3632598 0.85 GSK3A (0.52) KDM4ETDP1GSK3AGSK3BALDH1A1
SCHEMBL3633096 0.84 NAMPT (0.53) KDM4EGSK3AGSK3BALDH1A1NPC1

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
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-A1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP claimed
WO-2008128984-A1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO 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
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

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 KDM4E 2257/4885TDP1 419/4885GSK3A 754/4885

“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.