SCHEMBL5117719

SCHEMBL5117719

Cc1ccc2nc(-c3cccc(C#Cc4cccc(C)n4)c3)c(Nc3ccccc3)n2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
TP53 P04637 5/20 0.52
PKM P14618 3/20 0.50
HTT P42858 2/20 0.50
PKLR P30613 1/20 0.50
NR1H4 Q96RI1 4/20 0.48
MAPT P10636 6/20 0.48
THRB P10828 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL5113411 0.91 TRPA1 (0.54) GAASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5129211 0.88 TUBB4A (0.50) GAASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5121057 0.83 GAA (0.59) GAASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5117716 0.81 ALOX5 (0.64) GAASMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL5121164 0.78 GAA (0.52) GAASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5128069 0.77 TRPA1 (0.72) ALDH1A1MAPTMEN1KMT2AGRM5
SCHEMBL5127414 0.75 TUBB4A (0.55) GAASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5119275 0.73 TRPA1 (0.61) GAASMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL5113404 0.73 TRPA1 (0.60) GAAALDH1A1HTT
SCHEMBL5120431 0.72 ADRA1B (0.47) GAASMN1; SMN2KDM4EALDH1A1HPGD

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 1463/4885KDM4E 1336/4885

“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.