SCHEMBL5118740

SCHEMBL5118740

Cc1cccc(C#Cc2cccc(-c3nc4cnccn4c3NC3CCCC3)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPT P10636 5/20 0.55
KDM4E B2RXH2 4/20 0.55
GFER P55789 3/20 0.55
HPGD P15428 1/20 0.55
ALOX5 P09917 3/20 0.54
PIM1 P11309 1/20 0.53
AURKB Q96GD4 1/20 0.53
TLR9 Q9NR96 3/20 0.52
HTT P42858 3/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ATM Q13315 3/20 0.51
TP53 P04637 2/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
NPC1 O15118 1/20 0.50

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 0.99 ALOX5 (0.55) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5127784 0.88 PIM1 (0.57) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5129206 0.88 ADORA1 (0.60) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5117290 0.84 BRD4 (0.50) GAAALDH1A1KDM4EGFERMEN1
SCHEMBL5129666 0.83 MAPK1 (0.54) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5117716 0.83 ALOX5 (0.64) GAAALDH1A1KDM4EGFERALOX5
SCHEMBL5121057 0.83 GAA (0.59) GAAALDH1A1MAPTKDM4EGFER
SCHEMBL5119275 0.82 TRPA1 (0.61) GAAALDH1A1KDM4EALOX5HTT
SCHEMBL5113404 0.82 TRPA1 (0.60) GAAALDH1A1ALOX5HTTPABPC1
SCHEMBL5127414 0.81 TUBB4A (0.55) 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.