SCHEMBL5113751

SCHEMBL5113751

C(#Cc1ccc(-c2nc3cnccn3c2NC2CCCC2)o1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.53
ALDH1A1 P00352 8/20 0.53
MAPT P10636 8/20 0.53
KDM4E B2RXH2 6/20 0.53
HPGD P15428 3/20 0.53
GFER P55789 2/20 0.53
ALOX5 P09917 2/20 0.52
SALL4 Q9UJQ4 2/20 0.52
CASP1 P29466 3/20 0.51
CASP7 P55210 3/20 0.51
TP53 P04637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HTT P42858 4/20 0.48
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 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
SCHEMBL5128347 0.89 GAA (0.52) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL5127358 0.88 ALOX5 (0.52) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL5123507 0.82 ALDH1A1 (0.53) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL5120684 0.79 GAA (0.53) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL5129397 0.79 GAA (0.53) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL5119932 0.79 ALOX5 (0.54) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL5128038 0.78 GAA (0.52) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL5121040 0.77 GAA (0.60) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5128822 0.77 GAA (0.64) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL5122767 0.77 ALOX5 (0.52) GAAALDH1A1MAPTKDM4EHPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791840-B1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2013-11-27 EP claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US claimed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US claimed
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP claimed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 WO claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US disclosed
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP disclosed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 WO 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-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS GAA 234/4885ALDH1A1 2777/4885MAPT 707/4885

“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.