SCHEMBL4142471

SCHEMBL4142471

COc1cccc(N2CCN(Cc3cc4cnc(C#N)nc4n3C3CCCCC3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.59
CTSS P25774 12/20 0.59
GFER P55789 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CTSL P07711 3/20 0.44
KDM4E B2RXH2 2/20 0.43
NUAK1 O60285 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4133363 0.91 CTSS (0.66) CTSKCTSSCTSLNUAK1
SCHEMBL4137151 0.87 CTSS (0.57) CTSKCTSSCTSLNUAK1
SCHEMBL4142474 0.85 CTSK (0.51) CTSKCTSSGFERKDM4EALDH1A1
SCHEMBL4145290 0.83 CTSS (0.59) CTSKCTSSCTSLNUAK1
SCHEMBL13924790 0.82 CTSS (0.80) CTSKCTSSCTSLNUAK1
SCHEMBL4133836 0.81 CTSK (0.72) CTSKCTSSGFERCTSLKDM4E
SCHEMBL13924781 0.81 CTSK (0.55) CTSKCTSSGFERCTSLKDM4E
SCHEMBL13924810 0.80 CTSS (0.66) CTSKCTSSCTSL
SCHEMBL4137299 0.80 CTSK (0.53) CTSKCTSSGFERCTSLKDM4E
SCHEMBL8363930 0.78 CTSS (0.48) CTSKCTSSGFERMEN1KMT2A

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
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-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

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-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ CTSK 1/4885CTSS 2/4885GFER 3763/4885

“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.