SCHEMBL5115253

SCHEMBL5115253

Cc1cc(Br)c2nc(-c3ccc(C#Cc4ccccn4)cc3)c(NC3CCCC3)n2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.46
ALOX5 P09917 11/20 0.44
GAA P10253 5/20 0.43
HTT P42858 2/20 0.43
ADORA1 P30542 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.41
PABPC1 P11940 1/20 0.41
BACE1 P56817 1/20 0.40

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
SCHEMBL5120957 0.92 GFER (0.44) GFERALOX5GAAHTTADORA1
SCHEMBL5117418 0.85 GAA (0.46) GFERALOX5GAAHTTADORA1
SCHEMBL5114495 0.84 GAA (0.47) GFERALOX5GAAHTTADORA1
SCHEMBL5122502 0.84 GFER (0.44) GFERALOX5GAAHTTADORA1
SCHEMBL5122721 0.81 ALOX5 (0.65) GFERALOX5GAAHTTADORA1
SCHEMBL5120656 0.76 ALOX5 (0.60) GFERALOX5GAAHTTALDH1A1
SCHEMBL5123249 0.76 ALDH1A1 (0.52) GFERALOX5GAAHTTADORA1
SCHEMBL5128822 0.76 GAA (0.64) GFERALOX5GAAHTTADORA1
SCHEMBL5128023 0.76 TRPA1 (0.52) BACE1
SCHEMBL5128462 0.70 ALDH1A1 (0.60) GFERALOX5GAAHTTADORA1

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 GFER 3958/4885ALOX5 4142/4885GAA 234/4885

“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.