SCHEMBL5129206

SCHEMBL5129206

Cc1cccc(C#Cc2cccc(-c3nc4ccccn4c3NC3CCCCC3)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.60
ROCK2 O75116 1/20 0.54
PIM1 P11309 1/20 0.54
GSK3B P49841 1/20 0.54
AURKB Q96GD4 1/20 0.54
BRD4 O60885 1/20 0.53
TRIM33 Q9UPN9 3/20 0.52
TRIM24 O15164 2/20 0.52
ALOX5 P09917 4/20 0.50
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GFER P55789 1/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 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
SCHEMBL5121054 0.89 ALOX5 (0.55) ADORA1PIM1AURKBTRIM24ALOX5
SCHEMBL5117716 0.88 ALOX5 (0.64) ALOX5ALDH1A1GAAKDM4EGFER
SCHEMBL5118740 0.88 GAA (0.55) ADORA1PIM1AURKBTRIM24ALOX5
SCHEMBL5128462 0.87 ALDH1A1 (0.60) ADORA1ROCK2PIM1GSK3BAURKB
SCHEMBL5113404 0.87 TRPA1 (0.60) ALOX5ALDH1A1GAABACE1
SCHEMBL5119275 0.86 TRPA1 (0.61) ALOX5ALDH1A1GAAKDM4EBACE1
SCHEMBL5129666 0.85 MAPK1 (0.54) ADORA1ROCK2PIM1GSK3BAURKB
SCHEMBL13464225 0.83 ADORA1 (0.63) ADORA1ROCK2PIM1GSK3BAURKB
SCHEMBL5129211 0.82 TUBB4A (0.50) ALDH1A1GAAKDM4EGFERMAPT
SCHEMBL5120431 0.79 ADRA1B (0.47) ALDH1A1GAAKDM4EGFERMAPT

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 ADORA1 1385/4885ROCK2 3796/4885PIM1 1255/4885

“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.