SCHEMBL3630804

SCHEMBL3630804

c1ccc(-c2nc(NCCCn3ccnc3)cc(-c3ccncc3)n2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
SOD1 P00441 2/20 0.48
NAMPT P43490 3/20 0.48
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
QPCT Q16769 3/20 0.47
CFTR P13569 1/20 0.46
SCN9A Q15858 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC2A1 P11166 1/20 0.43
TGFBR1 P36897 1/20 0.43
TGFBR2 P37173 1/20 0.43

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
SCHEMBL3633096 0.95 NAMPT (0.53) KDM4ESOD1NAMPTGSK3AGSK3B
SCHEMBL3630452 0.92 GSK3A (0.52) KDM4ESOD1NAMPTGSK3AGSK3B
SCHEMBL3627894 0.91 SOD1 (0.52) SOD1NAMPTGSK3AGSK3BQPCT
SCHEMBL3630627 0.91 QPCT (0.56) KDM4ESOD1NAMPTGSK3AGSK3B
SCHEMBL3630638 0.89 SMN1; SMN2 (0.55) KDM4ESOD1NAMPTGSK3AGSK3B
SCHEMBL3629432 0.88 GSK3A (0.60) KDM4ESOD1NAMPTGSK3AGSK3B
SCHEMBL3632114 0.88 GSK3A (0.60) KDM4ESOD1NAMPTGSK3AGSK3B
SCHEMBL3630264 0.88 GSK3A (0.53) KDM4ESOD1NAMPTGSK3AGSK3B
SCHEMBL3628871 0.86 GSK3A (0.58) KDM4ESOD1NAMPTGSK3AGSK3B
SCHEMBL25315980 0.86 SOD1 (0.49) KDM4ESOD1NAMPTGSK3AGSK3B

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 KDM4E 2257/4885SOD1 2749/4885NAMPT 1407/4885

“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.