SCHEMBL4151335

SCHEMBL4151335

COc1ccc(N2CCN(Cc3cc4cnc(C#N)nc4n3CCC(C)C)CC2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.48
CTSS P25774 13/20 0.46
CTSL P07711 3/20 0.41
CTSC P53634 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL4286100 0.92 CTSK (0.49) CTSKCTSSCTSLCTSCKDM4E
SCHEMBL4133131 0.88 CTSK (0.59) CTSKCTSSCTSLCTSCKDM4E
SCHEMBL4151316 0.88 CTSK (0.47) CTSKCTSSCTSLCTSCKDM4E
SCHEMBL4137299 0.87 CTSK (0.53) CTSKCTSSCTSLCTSCKDM4E
SCHEMBL5763472 0.87 CTSK (0.65) CTSKCTSSCTSL
SCHEMBL4141258 0.82 CTSS (0.53) CTSKCTSSCTSLCTSCDRD2
SCHEMBL4137153 0.82 CTSK (0.46) CTSKCTSSKDM4ETSHRHTR1A
SCHEMBL4137151 0.80 CTSS (0.57) CTSKCTSSCTSL
SCHEMBL13924780 0.79 CTSK (0.61) CTSKCTSSCTSLCTSCTSHR
SCHEMBL4131486 0.79 POLB (0.41) CTSKKDM4ETSHRMEN1ALDH1A1

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 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.