SCHEMBL3631375

SCHEMBL3631375

FC(F)(F)c1cccc(-c2cc(NCCCn3ccnc3)nc(-c3ccccn3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.48
KCNH2 Q12809 1/20 0.48
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
QPCT Q16769 3/20 0.45
NAMPT P43490 1/20 0.45
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
MAPK1 P28482 2/20 0.43
SYK P43405 1/20 0.42
SOD1 P00441 2/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
CFTR P13569 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA1A P35348 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
SCHEMBL3629430 0.98 CTSK (0.47) CTSKKCNH2ITGB2ICAM1ITGAL
SCHEMBL3633387 0.91 GSK3A (0.53) CTSKKCNH2ITGB2ICAM1ITGAL
SCHEMBL3632700 0.88 GSK3A (0.48) CTSKKCNH2ITGB2ICAM1ITGAL
SCHEMBL3633096 0.88 NAMPT (0.53) QPCTNAMPTGSK3AGSK3BSOD1
SCHEMBL3632000 0.86 SMN1; SMN2 (0.54) CTSKKCNH2ITGB2ICAM1ITGAL
SCHEMBL3631542 0.85 KDM4E (0.49) CTSKKCNH2ITGB2ICAM1ITGAL
SCHEMBL3630804 0.85 KDM4E (0.50) ITGB2ICAM1ITGALQPCTNAMPT
SCHEMBL3627894 0.85 SOD1 (0.52) QPCTNAMPTGSK3AGSK3BSOD1
SCHEMBL3630638 0.84 SMN1; SMN2 (0.55) QPCTNAMPTGSK3AGSK3BSOD1
SCHEMBL3633391 0.84 GSK3A (0.54) ITGB2ICAM1ITGALQPCTNAMPT

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 CTSK 2812/4885KCNH2 1878/4885ITGB2 4837/4885

“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.