SCHEMBL5127401

SCHEMBL5127401

Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccc(C#Cc4ccccn4)s3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 13/20 0.45
ALDH1A1 P00352 5/20 0.45
GFER P55789 3/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 7/20 0.41
KMT2A Q03164 5/20 0.41
HTT P42858 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 8/20 0.41
POLB P06746 5/20 0.40
TP53 P04637 4/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 3/20 0.39
BACE1 P56817 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
CYP1A2 P05177 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
SCHEMBL5123200 0.90 NR1H4 (0.41) GAAALDH1A1GFERKDM4ESMN1; SMN2
SCHEMBL5118664 0.90 MAPT (0.40) GAAALDH1A1GFERKDM4ESMN1; SMN2
SCHEMBL5129329 0.89 CREBBP (0.36) GAAALDH1A1GFERKDM4ESMN1; SMN2
SCHEMBL5120714 0.87 MAPT (0.51) GAAALDH1A1GFERKDM4ESMN1; SMN2
SCHEMBL5127776 0.87 GAA (0.47) GAAALDH1A1GFERKDM4EKMT2A
SCHEMBL5122532 0.84 GAA (0.43) GAAALDH1A1KDM4ENPSR1TDP1
SCHEMBL5115355 0.83 GAA (0.61) GAAALDH1A1GFERKDM4ESMN1; SMN2
SCHEMBL5127205 0.81 GAA (0.43) GAAALDH1A1GFERKDM4ESMN1; SMN2
SCHEMBL5115347 0.80 GAA (0.62) GAAALDH1A1GFERKDM4ESMN1; SMN2
SCHEMBL5118071 0.79 ADRA1B (0.51) GAAALDH1A1GFERKDM4ESMN1; SMN2

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
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 GAA 234/4885ALDH1A1 2777/4885GFER 3958/4885

“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.