SCHEMBL4145293

SCHEMBL4145293

COc1ccc(C2CCN(Cc3cc4cnc(C#N)nc4n3-c3ccccc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.48
CTSK P43235 9/20 0.48
DRD2 P14416 1/20 0.40
CTSL P07711 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 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
SCHEMBL4133368 0.86 CTSK (0.55) CTSSCTSKCTSL
SCHEMBL4145290 0.84 CTSS (0.59) CTSSCTSKCTSL
SCHEMBL4129807 0.83 CTSS (0.51) CTSSCTSKDRD2CTSL
SCHEMBL4142694 0.83 CTSK (0.66) CTSSCTSKCTSL
SCHEMBL4142474 0.83 CTSK (0.51) CTSSCTSKDRD2KDM4E
SCHEMBL4141258 0.82 CTSS (0.53) CTSSCTSKDRD2CTSL
SCHEMBL4137153 0.81 CTSK (0.46) CTSSCTSKDRD2KDM4E
SCHEMBL4141659 0.77 CTSK (0.64) CTSSCTSKCTSL
SCHEMBL4141268 0.74 CTSS (0.57) CTSSCTSKCTSLKDM4E
SCHEMBL4133363 0.74 CTSS (0.66) 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 1 patent. 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

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 CTSS 2/4885CTSK 1/4885DRD2 4870/4885

“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.