SCHEMBL5116813

SCHEMBL5116813

CC(C)c1ccn2c(Nc3ccccc3)c(-c3ccc(C#Cc4ccccn4)o3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 15/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
HTT P42858 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MITF O75030 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 10/20 0.46
PKM P14618 6/20 0.46
GFER P55789 1/20 0.46
TP53 P04637 6/20 0.46
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 1/20 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
SCHEMBL5121044 0.85 GAA (0.61) GAASMN1; SMN2TDP1HTTKMT2A
SCHEMBL5116807 0.84 ALDH1A1 (0.49) GAASMN1; SMN2HTTNPSR1KDM4E
SCHEMBL5127364 0.82 GAA (0.66) GAASMN1; SMN2TDP1HTTKMT2A
SCHEMBL5112904 0.81 GAA (0.66) GAASMN1; SMN2TDP1HTTKMT2A
SCHEMBL5115171 0.78 PKM (0.64) GAASMN1; SMN2TDP1HTTKDM4E
SCHEMBL5118720 0.78 PKLR (0.55) GAASMN1; SMN2TDP1HTTKMT2A
SCHEMBL5114500 0.75 PKM (0.45) GAASMN1; SMN2TDP1HTTKMT2A
SCHEMBL5114433 0.73 NR1H4 (0.38) GAASMN1; SMN2TDP1HTTKMT2A
SCHEMBL5122888 0.72 ADRA1B (0.52) GAASMN1; SMN2TDP1HTTKMT2A
SCHEMBL5129215 0.71 ADRA1B (0.45) GAATDP1KDM4EALDH1A1MAPT

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 234/4885SMN1; SMN2 1463/4885TDP1 3008/4885

“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.