SCHEMBL5113864

SCHEMBL5113864

CC(C)(C)Nc1c(-c2ccc(C#Cc3ccccn3)o2)nc2cnccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 4/20 0.49
KDM4E B2RXH2 4/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
SALL4 Q9UJQ4 1/20 0.48
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
BRD4 O60885 5/20 0.46
TAF1 P21675 1/20 0.46
TAF1L Q8IZX4 1/20 0.46
PKM P14618 4/20 0.45
MAPK1 P28482 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRA1B P35368 1/20 0.39

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
SCHEMBL5121858 0.90 GAA (0.47) GAAALDH1A1HPGDKDM4EALOX15
SCHEMBL5122888 0.89 ADRA1B (0.52) GAAALDH1A1HPGDKDM4ESALL4
SCHEMBL5123507 0.88 ALDH1A1 (0.53) GAAALDH1A1HPGDKDM4EALOX15
SCHEMBL5127364 0.85 GAA (0.66) GAAALDH1A1HPGDKDM4EALOX15
SCHEMBL5114433 0.83 NR1H4 (0.38) GAAALDH1A1HPGDKDM4EALOX15
SCHEMBL5114962 0.83 BRD4 (0.48) GAAALDH1A1HPGDKDM4EMAPT
SCHEMBL5116820 0.82 BRD4 (0.54) GAAALDH1A1KDM4ESALL4MAPT
SCHEMBL5128347 0.82 GAA (0.52) GAAALDH1A1HPGDKDM4EALOX15
SCHEMBL5116598 0.82 MAPT (0.48) GAAALDH1A1KDM4EMAPTHTT
SCHEMBL5123955 0.82 SALL4 (0.49) GAAALDH1A1HPGDKDM4EALOX15

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 2777/4885HPGD 2070/4885

“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.