SCHEMBL3319251

SCHEMBL3319251

CN1CCN(C(=O)n2cnc3c(N(N)C4CCCCC4)nc(C#N)nc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.44
CTSL P07711 9/20 0.44
CTSK P43235 6/20 0.44
CTSB P07858 3/20 0.39
NSD2 O96028 1/20 0.32
CDK1 P06493 1/20 0.32

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
SCHEMBL3315733 0.99 CTSS (0.43) CTSSCTSLCTSKCTSBNSD2
SCHEMBL4432656 0.82 CTSS (0.40) CTSSCTSLCTSKCTSB
SCHEMBL3319971 0.82 CTSS (0.40) CTSSCTSLCTSKCTSBNSD2
SCHEMBL3318584 0.81 CTSS (0.38) CTSSCTSLCTSKCTSBNSD2
SCHEMBL4429647 0.81 CTSS (0.38) CTSSCTSLCTSKCTSB
SCHEMBL3315752 0.80 CTSL (0.45) CTSSCTSLCTSKCTSBCDK1
SCHEMBL3320171 0.80 CTSS (0.36) CTSSCTSLCTSKCTSB
SCHEMBL3318590 0.79 CTSL (0.48) CTSSCTSLCTSKCTSB
Trifluoroacetic Acid SCHEMBL3320169 0.79 CTSS (0.37) CTSSCTSLCTSKCTSB
SCHEMBL3318200 0.79 CTSL (0.43) CTSSCTSLCTSKCTSBCDK1

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 6 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 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-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
EP-2028182-A1 Cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-02-25 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 CTSS 37/4885CTSL 31/4885CTSK 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.