SCHEMBL5116936

SCHEMBL5116936

Cc1ccc2nc(-c3ccc(C#Cc4ccccc4)s3)c(NCC3CCCCC3)n2c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.44
ALOX5 P09917 6/20 0.43
GFER P55789 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PABPC1 P11940 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
SCHEMBL5129074 0.87 GAA (0.46) NR1H4ALOX5GFERALDH1A1GAA
SCHEMBL5124135 0.83 MEN1 (0.36) NR1H4ALDH1A1GAA
SCHEMBL5119818 0.83 PKM (0.41) ALDH1A1GAA
SCHEMBL5128541 0.82 GAA (0.46) ALOX5ALDH1A1GAA
SCHEMBL5122706 0.82 CDK9 (0.41) ALOX5GFERALDH1A1GAA
SCHEMBL5124867 0.80 GAA (0.40) ALOX5ALDH1A1GAA
SCHEMBL5115166 0.80 BRD4 (0.45) NR1H4GFERALDH1A1GAA
SCHEMBL5116938 0.79 ALOX5 (0.37) NR1H4ALOX5GFERALDH1A1GAA
SCHEMBL5119525 0.78 NR1H4 (0.65) NR1H4ALDH1A1GAA
SCHEMBL5128146 0.77 NR1H4 (0.64) NR1H4ALDH1A1GAA

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 NR1H4 2683/4885ALOX5 4142/4885GFER 3958/4885

“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.