SCHEMBL5115347

SCHEMBL5115347

Cc1ccn2c(NC3CCCCC3)c(-c3ccc(C#Cc4ccccn4)s3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.62
ALDH1A1 P00352 8/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
GFER P55789 5/20 0.62
HTT P42858 4/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 7/20 0.57
NPSR1 Q6W5P4 5/20 0.57
MAPK1 P28482 3/20 0.57
KDM4E B2RXH2 3/20 0.57
RAB9A P51151 1/20 0.57
ALOX5 P09917 1/20 0.52
TSHR P16473 1/20 0.51
TP53 P04637 2/20 0.48
BACE1 P56817 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA1 P30542 1/20 0.45
ATM Q13315 2/20 0.44
TRIM24 O15164 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42

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
SCHEMBL5119093 0.89 ALDH1A1 (0.49) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5121461 0.87 GFER (0.62) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5121245 0.86 GFER (0.63) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5115355 0.83 GAA (0.61) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5122502 0.82 GFER (0.44) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5113498 0.81 GFER (0.48) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5127401 0.80 GAA (0.45) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5166652 0.79 GAA (0.98) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5129074 0.75 GAA (0.46) GAAALDH1A1SMN1; SMN2GFERHTT
SCHEMBL5165984 0.75 ALDH1A1 (0.96) GAAALDH1A1SMN1; SMN2GFERHTT

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 7 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

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 2777/4885SMN1; SMN2 1463/4885

“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.