SCHEMBL5114530

SCHEMBL5114530

Cc1cc(C)n2c(NC3CCCC3)c(-c3ccc(C#Cc4ccccn4)o3)nc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 2/20 0.40
GFER P55789 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM5 P41594 5/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CDC7 O00311 1/20 0.34
DAPK3 O43293 1/20 0.34
DYRK3 O43781 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL5124596 0.84 GAA (0.40) GAAMAPTALDH1A1KDM4ETSHR
SCHEMBL5121140 0.82 GAA (0.43) GAAMAPTALDH1A1KDM4ENPSR1
SCHEMBL5120848 0.81 GAA (0.67) GAAMAPTALDH1A1KDM4ETSHR
SCHEMBL5114554 0.80 PKM (0.65) GAAMAPTALDH1A1KDM4ETSHR
SCHEMBL5121040 0.78 GAA (0.60) GAAMAPTALDH1A1KDM4ETSHR
SCHEMBL5117418 0.77 GAA (0.46) GAAMAPTALDH1A1KDM4ETSHR
SCHEMBL5128347 0.77 GAA (0.52) GAAMAPTALDH1A1KDM4ETSHR
SCHEMBL5114495 0.76 GAA (0.47) GAAMAPTALDH1A1KDM4ETSHR
SCHEMBL5116807 0.76 ALDH1A1 (0.49) GAAMAPTALDH1A1KDM4ETSHR
SCHEMBL5127358 0.76 ALOX5 (0.52) GAAMAPTALDH1A1KDM4ETSHR

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 234/4885MAPT 707/4885ALDH1A1 2777/4885

“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.