SCHEMBL4138592

SCHEMBL4138592

N#Cc1ncc2cc(Cc3ccc(CBr)cc3)n(-c3ccccc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.56
CTSK P43235 13/20 0.56
CTSL P07711 8/20 0.54

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
SCHEMBL4133021 0.90 CTSS (0.57) CTSSCTSKCTSL
SCHEMBL4138577 0.89 CTSS (0.69) CTSSCTSKCTSL
SCHEMBL4133339 0.86 CTSK (0.67) CTSSCTSKCTSL
SCHEMBL4151126 0.82 CTSS (0.69) CTSSCTSKCTSL
SCHEMBL13924827 0.81 CTSS (0.57) CTSSCTSKCTSL
SCHEMBL4138587 0.77 CTSS (0.81) CTSSCTSKCTSL
SCHEMBL4136793 0.76 CTSS (0.82) CTSSCTSKCTSL
SCHEMBL13924812 0.76 CTSS (0.69) CTSSCTSKCTSL
SCHEMBL16232058 0.72 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL4142088 0.71 CTSS (0.72) CTSSCTSKCTSL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 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 (2 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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ CTSS 2/4885CTSK 1/4885CTSL 7/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ CTSS 2/4885CTSK 1/4885CTSL 7/4885

“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.