SCHEMBL3319175

SCHEMBL3319175

CN(C)CCn1cnc2c(N(CC3CCCC3)NC(=O)c3ccc(CN4CCN(C)CC4)cc3)nc(C#N)nc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.50
CTSS P25774 8/20 0.50
CTSK P43235 8/20 0.50
CTSB P07858 3/20 0.50
TLR9 Q9NR96 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
TBK1 Q9UHD2 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
IKBKE Q14164 1/20 0.35
ITK Q08881 1/20 0.35
CHKA P35790 1/20 0.34
CHRM2 P08172 1/20 0.34
MAPK14 Q16539 1/20 0.34
ABL1 P00519 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
Trifluoroacetic Acid SCHEMBL3322320 0.95 CTSS (0.46) CTSLCTSSCTSKCTSBTLR9
SCHEMBL8138703 0.90 CTSS (0.54) CTSLCTSSCTSKCTSBTBK1
SCHEMBL3320348 0.89 CTSL (0.48) CTSLCTSSCTSKCTSBTLR9
SCHEMBL3319998 0.89 CTSL (0.48) CTSLCTSSCTSKCTSBTLR9
SCHEMBL8140039 0.86 CTSS (0.48) CTSLCTSSCTSKCTSBTLR9
SCHEMBL3910878 0.86 CTSS (0.48) CTSLCTSSCTSKCTSBTLR9
Trifluoroacetic Acid SCHEMBL3323721 0.85 CTSS (0.49) CTSLCTSSCTSKCTSBTBK1
SCHEMBL3318652 0.85 CTSS (0.51) CTSLCTSSCTSKCTSBTBK1
SCHEMBL3320153 0.85 CTSL (0.47) CTSLCTSSCTSKCTSBTLR9
Trifluoroacetic Acid SCHEMBL3318255 0.85 CTSS (0.45) CTSLCTSSCTSKCTSBTLR9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US claimed
EP-2028182-A1 Cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-02-25 EP claimed
EP-1972630-A1 Purines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-09-24 EP claimed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
EP-2028182-A1 Cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-02-25 EP disclosed
EP-1972630-A1 Purines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-09-24 EP disclosed
EP-1972630-A1 Purines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-09-24 EP disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO 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-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS CPN1, SERPINB1, PNP CTSL 31/4885CTSS 37/4885CTSK 135/4885

“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.