SCHEMBL4141676

SCHEMBL4141676

CC(C)(C)CNc1nc(C#N)ncc1C#CCOC1CCCCO1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.56
CTSS P25774 13/20 0.56
CTSL P07711 10/20 0.56
KCNH2 Q12809 1/20 0.36
GRM5 P41594 1/20 0.34
PLK1 P53350 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
GCK P35557 1/20 0.33

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
SCHEMBL5258665 0.86 CTSS (0.41) CTSKCTSSCTSLKCNH2
SCHEMBL8363716 0.82 CTSS (0.40) CTSKCTSSCTSLKCNH2KDM4C
SCHEMBL13109146 0.76 CTSS (0.65) CTSKCTSSCTSLKCNH2
SCHEMBL28681627 0.71 KMT2A (0.44) GRM5KDM4CGCK
SCHEMBL3450444 0.70 CTSS (0.57) CTSKCTSSCTSLKCNH2
SCHEMBL3450365 0.68 CTSK (0.63) CTSKCTSSCTSL
SCHEMBL23729876 0.67 GRM5 (0.43) GRM5KDM4CGCK
SCHEMBL23704078 0.67 GRM5 (0.43) GRM5KDM4CGCK
SCHEMBL4129231 0.67 CTSK (0.59) CTSKCTSSCTSL
SCHEMBL6219698 0.67 CTSS (0.67) CTSKCTSSCTSLKCNH2

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 6 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-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
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 CTSK 1/4885CTSS 2/4885CTSL 7/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ CTSK 1/4885CTSS 2/4885CTSL 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.