SCHEMBL3632081

SCHEMBL3632081

Cc1nc(NCCCn2ccnc2)cc(-c2ccccc2F)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
QPCT Q16769 7/20 0.51
SOD1 P00441 2/20 0.48
HSD17B10 Q99714 4/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 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
SCHEMBL3628872 0.87 GSK3A (0.56) ALDH1A1QPCTSOD1HSD17B10MAPK1
SCHEMBL3630432 0.86 QPCT (0.52) ALDH1A1QPCTSOD1HSD17B10MAPK1
SCHEMBL3632102 0.86 QPCT (0.56) ALDH1A1QPCTSOD1HSD17B10KDM4E
SCHEMBL3630428 0.85 QPCT (0.48) QPCTSOD1CYP11B1CYP11B2NAMPT
SCHEMBL3629417 0.85 TP53 (0.60) ALDH1A1QPCTSOD1HSD17B10MAPK1
SCHEMBL3625347 0.83 SMN1; SMN2 (0.58) ALDH1A1QPCTSOD1HSD17B10KDM4E
SCHEMBL3632223 0.83 ALDH1A1 (0.53) ALDH1A1QPCTSOD1HSD17B10MAPK1
SCHEMBL3630136 0.83 ALDH1A1 (0.62) ALDH1A1QPCTSOD1HSD17B10MAPK1
SCHEMBL3626572 0.81 ALDH1A1 (0.51) ALDH1A1QPCTSOD1HSD17B10MAPK1
SCHEMBL3629866 0.81 ALDH1A1 (0.53) ALDH1A1QPCTSOD1HSD17B10MAPK1

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 6 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
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 ALDH1A1 2266/4885QPCT 3/4885SOD1 2749/4885

“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.