SCHEMBL4137299

SCHEMBL4137299

COc1cccc(N2CCN(Cc3cc4cnc(C#N)nc4n3CCC(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.53
CTSS P25774 9/20 0.45
CTSL P07711 3/20 0.44
CTSC P53634 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GFER P55789 1/20 0.43
DRD2 P14416 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD4 P21917 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4133131 0.91 CTSK (0.59) CTSKCTSSCTSLCTSCKDM4E
SCHEMBL13924781 0.91 CTSK (0.55) CTSKCTSSCTSLCTSCKDM4E
SCHEMBL4151335 0.87 CTSK (0.48) CTSKCTSSCTSLCTSCKDM4E
SCHEMBL4133836 0.86 CTSK (0.72) CTSKCTSSCTSLKDM4EGFER
SCHEMBL4142474 0.83 CTSK (0.51) CTSKCTSSKDM4EGFERDRD2
SCHEMBL13924780 0.82 CTSK (0.61) CTSKCTSSCTSLCTSCDRD2
SCHEMBL4141258 0.82 CTSS (0.53) CTSKCTSSCTSLCTSCDRD2
SCHEMBL13924786 0.82 CTSK (0.51) CTSKCTSSCTSLCTSCDRD2
SCHEMBL13924784 0.80 CTSK (0.50) CTSKCTSSCTSLCTSCKDM4E
SCHEMBL4142471 0.80 CTSK (0.59) CTSKCTSSCTSLKDM4EGFER

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.