SCHEMBL5114433

SCHEMBL5114433

CCc1ccn2c(NC(C)(C)C)c(-c3ccc(C#Cc4ccccn4)o3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.38
ADRA1B P35368 1/20 0.37
GAA P10253 6/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GFER P55789 2/20 0.37
BACE1 P56817 1/20 0.35
TRPA1 O75762 1/20 0.35
BRD4 O60885 2/20 0.33
CREBBP Q92793 1/20 0.33
HTT P42858 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
MITF O75030 1/20 0.33
TOP2A P11388 1/20 0.33
SALL4 Q9UJQ4 2/20 0.33
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL5122888 0.86 ADRA1B (0.52) ADRA1BGAAKDM4EALDH1A1GFER
SCHEMBL5113864 0.83 GAA (0.49) ADRA1BGAAKDM4EALDH1A1GFER
SCHEMBL5114962 0.80 BRD4 (0.48) ADRA1BGAAKDM4EALDH1A1BRD4
SCHEMBL5116598 0.79 MAPT (0.48) ADRA1BGAAKDM4EALDH1A1BACE1
SCHEMBL1252706 0.78 IDO1 (0.54) ADRA1BGAAKDM4EALDH1A1GFER
SCHEMBL5121858 0.76 GAA (0.47) GAAKDM4EALDH1A1GFERBRD4
SCHEMBL5124596 0.75 GAA (0.40) GAAKDM4EALDH1A1BRD4KMT2A
SCHEMBL5114935 0.75 ADRA1B (0.45) NR1H4ADRA1BGAAKDM4EALDH1A1
SCHEMBL5123200 0.74 NR1H4 (0.41) NR1H4GAAKDM4EALDH1A1GFER
SCHEMBL5116813 0.73 GAA (0.47) GAAKDM4EALDH1A1GFERHTT

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 NR1H4 2683/4885ADRA1B 609/4885GAA 234/4885

“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.