SCHEMBL5128347

SCHEMBL5128347

C(#Cc1ccc(-c2nc3cnccn3c2NC2CCCC2)o1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.52
ALDH1A1 P00352 9/20 0.52
MAPT P10636 8/20 0.52
KDM4E B2RXH2 6/20 0.52
GFER P55789 3/20 0.52
HPGD P15428 3/20 0.52
ALOX5 P09917 2/20 0.51
SALL4 Q9UJQ4 2/20 0.50
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49
TP53 P04637 2/20 0.49
TSHR P16473 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TRIM24 O15164 1/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PIM1 P11309 1/20 0.48
AURKB Q96GD4 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
SCHEMBL5127358 0.99 ALOX5 (0.52) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5121040 0.89 GAA (0.60) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5113751 0.89 GAA (0.53) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5120848 0.84 GAA (0.67) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5128822 0.83 GAA (0.64) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5127364 0.83 GAA (0.66) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5114554 0.83 PKM (0.65) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5116807 0.83 ALDH1A1 (0.49) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5113864 0.82 GAA (0.49) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5118714 0.82 ALOX5 (0.49) GAAALDH1A1MAPTKDM4EGFER

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.