SCHEMBL5113498

SCHEMBL5113498

Clc1ccc2nc(-c3ccc(C#Cc4ccccn4)s3)c(NC3CCCC3)n2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 4/20 0.48
ALOX5 P09917 6/20 0.47
TRPA1 O75762 1/20 0.46
GAA P10253 10/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BACE1 P56817 2/20 0.44
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TRIM33 Q9UPN9 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL5121245 0.90 GFER (0.63) GFERALOX5GAAALDH1A1KDM4E
SCHEMBL5121461 0.89 GFER (0.62) GFERALOX5GAAALDH1A1KDM4E
SCHEMBL5114996 0.83 MAPT (0.48) TRPA1GAAALDH1A1MAPTL3MBTL1
SCHEMBL5120656 0.82 ALOX5 (0.60) GFERALOX5TRPA1GAAALDH1A1
SCHEMBL5115347 0.81 GAA (0.62) GFERALOX5GAAALDH1A1MAPT
SCHEMBL5118714 0.81 ALOX5 (0.49) GFERALOX5TRPA1GAAALDH1A1
SCHEMBL5121161 0.80 TRPA1 (0.60) GFERALOX5TRPA1GAAALDH1A1
SCHEMBL5119093 0.79 ALDH1A1 (0.49) GFERALOX5GAAALDH1A1MAPT
SCHEMBL5122502 0.78 GFER (0.44) GFERALOX5GAAALDH1A1MAPT
SCHEMBL13236228 0.78 ALOX5 (0.61) GFERALOX5TRPA1GAAALDH1A1

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 GFER 3958/4885ALOX5 4142/4885TRPA1 3616/4885

“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.