SCHEMBL5114495

SCHEMBL5114495

Cc1cc(Br)c2nc(-c3ccc(C#Cc4ccccn4)o3)c(NC3CCCCC3)n2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
PKM P14618 1/20 0.44
GFER P55789 2/20 0.44
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 8/20 0.38
PABPC1 P11940 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA1 P30542 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL5117418 0.99 GAA (0.46) GAAMAPTNPSR1ALDH1A1KDM4E
SCHEMBL5115253 0.84 GFER (0.46) GAAMAPTALDH1A1GFERHTT
SCHEMBL5114500 0.84 PKM (0.45) GAAMAPTNPSR1ALDH1A1KDM4E
SCHEMBL5114554 0.84 PKM (0.65) GAAMAPTALDH1A1KDM4ETSHR
SCHEMBL5120957 0.83 GFER (0.44) GAAMAPTNPSR1ALDH1A1GFER
SCHEMBL5122502 0.82 GFER (0.44) GAAMAPTNPSR1ALDH1A1KDM4E
SCHEMBL5121040 0.79 GAA (0.60) GAAMAPTNPSR1ALDH1A1KDM4E
SCHEMBL5120848 0.78 GAA (0.67) GAAMAPTNPSR1ALDH1A1KDM4E
SCHEMBL5118714 0.78 ALOX5 (0.49) GAAMAPTNPSR1ALDH1A1KDM4E
SCHEMBL5116807 0.77 ALDH1A1 (0.49) GAAMAPTNPSR1ALDH1A1KDM4E

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 5 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
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 234/4885MAPT 707/4885NPSR1 1998/4885

“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.