SCHEMBL4138575

SCHEMBL4138575

N#Cc1ncc2cc(Cc3ccc(Cl)cc3)n(C3CCCCC3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 1.00
CTSK P43235 12/20 1.00
CTSL P07711 9/20 0.71

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
SCHEMBL13924828 0.90 CTSK (0.83) CTSSCTSKCTSL
SCHEMBL16231107 0.89 CTSS (0.81) CTSSCTSKCTSL
SCHEMBL4138587 0.89 CTSS (0.81) CTSSCTSKCTSL
SCHEMBL4133016 0.89 CTSS (0.81) CTSSCTSKCTSL
SCHEMBL16232058 0.89 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL27588172 0.88 CTSS (0.79) CTSSCTSKCTSL
SCHEMBL16232246 0.88 CTSK (1.00) CTSSCTSKCTSL
SCHEMBL4133332 0.86 CTSK (1.00) CTSSCTSKCTSL
SCHEMBL16231117 0.85 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL16232061 0.84 CTSS (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017030983-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CATHEPSINS MATEON THERAPEUTICS, INC. (US) 2017-02-23 WO disclosed
US-20140336503-A1 RADIOLABELED BIOMARKERS FOR OSTEOCLAST ACTIVATION AND RELATED METHODS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-13 US disclosed
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
CN-100372849-C Pyrrolopyrimidines as cysteine protease inhibitors NOVARTIS AG (CH) 2008-03-05 CN 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
CN-1549817-A Pyrrolo pyrimidines, process for their preparation, their use and pharmaceutical compositions containing them ��˹��ŵ�� 2004-11-24 CN 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 (3 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
US-20140336503-A1 RADIOLABELED BIOMARKERS FOR OSTEOCLAST ACTIVATION AND RELATED METHODS THEREOF CTSK, CTSF, CTSB CTSS 7/4885CTSK 1/4885CTSL 11/4885

“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.