SCHEMBL5117716

SCHEMBL5117716

Cc1ccc2nc(-c3cccc(C#Cc4cccc(C)n4)c3)c(NC3CCCCC3)n2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.64
PABPC1 P11940 1/20 0.59
GAA P10253 4/20 0.58
ALDH1A1 P00352 2/20 0.58
HTT P42858 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EPHX2 P34913 1/20 0.52
GFER P55789 1/20 0.52
ATM Q13315 2/20 0.51

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
SCHEMBL5113404 0.91 TRPA1 (0.60) ALOX5PABPC1GAAALDH1A1HTT
SCHEMBL5119275 0.90 TRPA1 (0.61) ALOX5PABPC1GAAALDH1A1HTT
SCHEMBL5129206 0.88 ADORA1 (0.60) ALOX5GAAALDH1A1KDM4EGFER
SCHEMBL5121054 0.84 ALOX5 (0.55) ALOX5PABPC1GAAALDH1A1HTT
SCHEMBL5118740 0.83 GAA (0.55) ALOX5PABPC1GAAALDH1A1HTT
SCHEMBL5117719 0.81 GAA (0.57) GAAALDH1A1HTTKDM4EMEN1
SCHEMBL5129666 0.80 MAPK1 (0.54) ALOX5GAAALDH1A1HTTKDM4E
SCHEMBL5121161 0.79 TRPA1 (0.60) ALOX5PABPC1GAAALDH1A1GFER
SCHEMBL5128462 0.75 ALDH1A1 (0.60) ALOX5GAAALDH1A1HTTKDM4E
SCHEMBL5120957 0.74 GFER (0.44) ALOX5PABPC1GAAALDH1A1HTT

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 ALOX5 4142/4885PABPC1 3457/4885GAA 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.