SCHEMBL3628870

SCHEMBL3628870

CCc1cc(NCCCn2ccnc2)nc(-c2ccc(Br)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HMOX1 P09601 1/20 0.44
SOD1 P00441 2/20 0.43
CYP1A2 P05177 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
EGFR P00533 1/20 0.42
NOS1 P29475 2/20 0.42
QPCT Q16769 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3631097 0.87 CYP1A2 (0.59) GSK3AGSK3BALDH1A1LMNAGAA
SCHEMBL3631242 0.83 GSK3B (0.46) GSK3AGSK3BALDH1A1LMNATDP1
SCHEMBL17189382 0.77 KDM4E (0.52) GSK3AGSK3BALDH1A1LMNAGAA
SCHEMBL3630264 0.77 GSK3A (0.53) GSK3AGSK3BALDH1A1GAASOD1
SCHEMBL390553 0.77 CYP1A2 (0.58) ALDH1A1LMNAGAAL3MBTL1CYP1A2
SCHEMBL3632615 0.76 GSK3A (0.61) GSK3AGSK3BALDH1A1LMNAGAA
SCHEMBL3632297 0.76 KDM4E (0.50) GSK3AGSK3BALDH1A1LMNAGAA
SCHEMBL3629352 0.76 GSK3A (0.64) GSK3AGSK3BALDH1A1GAATDP1
SCHEMBL3633442 0.75 GSK3A (0.57) GSK3AGSK3BALDH1A1LMNAGAA
SCHEMBL12505043 0.75 TDP1 (0.49) GSK3AGSK3BALDH1A1LMNATDP1

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 7 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
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 GSK3A 754/4885GSK3B 622/4885ALDH1A1 2266/4885

“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.