SCHEMBL5124871

SCHEMBL5124871

CN(c1c(-c2ccc(C#Cc3ccccc3)s2)nc2ncccn12)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
MAPK10 P53779 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KCNK3 O14649 5/20 0.35
KCNK9 Q9NPC2 5/20 0.35
GAA P10253 5/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
GRM5 P41594 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
JAK3 P52333 1/20 0.33
FGFR2 P21802 1/20 0.32
ALOX5 P09917 1/20 0.32
CDC7 O00311 1/20 0.31
DAPK3 O43293 1/20 0.31

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
SCHEMBL5128544 0.84 GAA (0.38) ALDH1A1SMN1; SMN2HPGDMAPK10IRAK4
SCHEMBL5122708 0.83 MAPK10 (0.35) ALDH1A1SMN1; SMN2HPGDMAPK10IRAK4
SCHEMBL5129075 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL5116938 0.80 ALOX5 (0.37) ALDH1A1SMN1; SMN2GAAKDM4EPKM
SCHEMBL5124867 0.78 GAA (0.40) ALDH1A1HPGDGAAMAPTKDM4E
SCHEMBL5119826 0.77 PKM (0.34) ALDH1A1SMN1; SMN2MAPK10IRAK4GAA
SCHEMBL5124139 0.76 GRM5 (0.33) ALDH1A1SMN1; SMN2PKMGRM5
SCHEMBL5114372 0.70 GAA (0.43) ALDH1A1HPGDGAAMAPTKDM4E
SCHEMBL5115223 0.67 GAA (0.38) ALDH1A1SMN1; SMN2HPGDGAAMAPT
SCHEMBL5115120 0.65 GAA (0.39) ALDH1A1SMN1; SMN2HPGDGAAMAPT

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 ALDH1A1 2777/4885SMN1; SMN2 1463/4885HPGD 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.