SCHEMBL3632003

SCHEMBL3632003

c1ccc(-c2nc(NCCCn3ccnc3)cc(-c3cccnc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
GSK3A P49840 2/20 0.58
GSK3B P49841 2/20 0.58
NAMPT P43490 5/20 0.55
RXFP1 Q9HBX9 1/20 0.53
MAPT P10636 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C9 P11712 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
SOD1 P00441 2/20 0.49
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MITF O75030 1/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL3631617 0.96 SMN1; SMN2 (0.67) SMN1; SMN2GSK3AGSK3BNAMPTRXFP1
SCHEMBL3631449 0.96 SMN1; SMN2 (0.63) SMN1; SMN2GSK3AGSK3BNAMPTRXFP1
SCHEMBL3632138 0.95 SMN1; SMN2 (0.57) SMN1; SMN2GSK3AGSK3BNAMPTRXFP1
SCHEMBL3629352 0.92 GSK3A (0.64) SMN1; SMN2GSK3AGSK3BNAMPTMAPT
SCHEMBL3632990 0.91 SMN1; SMN2 (0.60) SMN1; SMN2GSK3AGSK3BNAMPTRXFP1
SCHEMBL3630638 0.90 SMN1; SMN2 (0.55) SMN1; SMN2GSK3AGSK3BNAMPTRXFP1
SCHEMBL3629432 0.89 GSK3A (0.60) SMN1; SMN2GSK3AGSK3BNAMPTMAPT
SCHEMBL3632114 0.89 GSK3A (0.60) SMN1; SMN2GSK3AGSK3BNAMPTMAPT
SCHEMBL3631371 0.88 SMN1; SMN2 (0.60) SMN1; SMN2GSK3AGSK3BNAMPTRXFP1
SCHEMBL3630072 0.88 GSK3A (0.54) SMN1; SMN2GSK3AGSK3BNAMPTRXFP1

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 SMN1; SMN2 2477/4885GSK3A 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.