SCHEMBL3631097

SCHEMBL3631097

Cc1cc(NCCCn2ccnc2)nc(-c2ccc(Br)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
GPR119 Q8TDV5 1/20 0.59
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 6/20 0.49
NPC1 O15118 5/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 5/20 0.49
GAA P10253 5/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HSP90AA1 P07900 1/20 0.49
ALOX15 P16050 1/20 0.49
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
MAPT P10636 3/20 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
SCHEMBL17189382 0.90 KDM4E (0.52) CYP1A2GPR119ALDH1A1KDM4ENPC1
SCHEMBL3632615 0.89 GSK3A (0.61) CYP1A2ALDH1A1KDM4ENPC1HSD17B10
SCHEMBL3628870 0.87 GSK3A (0.47) CYP1A2GPR119ALDH1A1KDM4ENPC1
SCHEMBL3625365 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1HSD17B10HPGD
SCHEMBL25315980 0.80 SOD1 (0.49) ALDH1A1KDM4ENPC1HSD17B10HPGD
SCHEMBL30484175 0.80 SOD1 (0.49) ALDH1A1KDM4ENPC1HSD17B10HPGD
SCHEMBL3632297 0.80 KDM4E (0.50) CYP1A2ALDH1A1KDM4ENPC1HSD17B10
SCHEMBL3633442 0.79 GSK3A (0.57) CYP1A2ALDH1A1KDM4ENPC1HSD17B10
SCHEMBL3630264 0.78 GSK3A (0.53) CYP1A2ALDH1A1KDM4ENPC1HSD17B10
SCHEMBL3629352 0.77 GSK3A (0.64) CYP1A2ALDH1A1KDM4ENPC1HSD17B10

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 CYP1A2 3417/4885GPR119 29/4885ALDH1A1 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.