SCHEMBL5118720

SCHEMBL5118720

Clc1ccc2nc(-c3ccc(C#Cc4ccccn4)o3)c(Nc3ccccc3)n2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKLR P30613 3/20 0.55
GAA P10253 16/20 0.52
TP53 P04637 6/20 0.52
MAPT P10636 7/20 0.50
PKM P14618 4/20 0.50
HTT P42858 3/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
GFER P55789 1/20 0.44
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41

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 0.86 GAA (0.61) PKLRGAATP53MAPTPKM
SCHEMBL5116598 0.86 MAPT (0.48) PKLRGAATP53MAPTPKM
SCHEMBL5118714 0.83 ALOX5 (0.49) PKLRGAAMAPTPKML3MBTL1
SCHEMBL5120661 0.82 GAA (0.54) PKLRGAATP53MAPTHTT
SCHEMBL5129498 0.82 GAA (0.42) PKLRGAATP53MAPTPKM
SCHEMBL5127364 0.82 GAA (0.66) PKLRGAATP53MAPTPKM
SCHEMBL5121164 0.80 GAA (0.52) PKLRGAATP53MAPTHTT
SCHEMBL5115171 0.79 PKM (0.64) PKLRGAATP53MAPTPKM
SCHEMBL5116813 0.78 GAA (0.47) PKLRGAATP53MAPTPKM
SCHEMBL5114500 0.76 PKM (0.45) PKLRGAATP53MAPTPKM

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 PKLR 1514/4885GAA 234/4885TP53 2432/4885

“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.