SCHEMBL3918079

SCHEMBL3918079

CN1CCN(C2CCN(Cc3ccc(C(=O)NN(c4nc(C#N)nc5c4ncn5C)C4CCCCC4)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.46
CTSK P43235 5/20 0.46
CTSL P07711 4/20 0.46
CTSB P07858 1/20 0.46
CXCR3 P49682 3/20 0.38
TLR9 Q9NR96 2/20 0.37
TLR7 Q9NYK1 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CDK1 P06493 1/20 0.35
CHRM2 P08172 1/20 0.34

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
SCHEMBL3907864 0.99 CTSS (0.47) CTSSCTSKCTSLCTSBCXCR3
Trifluoroacetic Acid SCHEMBL3918126 0.95 CTSS (0.43) CTSSCTSKCTSLCTSBCXCR3
Trifluoroacetic Acid SCHEMBL3921339 0.95 CTSS (0.43) CTSSCTSKCTSLCTSBCXCR3
SCHEMBL3318220 0.93 CTSS (0.52) CTSSCTSKCTSLCTSBTBK1
SCHEMBL3322741 0.90 CTSS (0.47) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL3913413 0.90 CTSS (0.41) CTSSCTSKCTSLCTSBTLR9
SCHEMBL3315529 0.89 CTSS (0.47) CTSSCTSKCTSLCTSBTBK1
SCHEMBL3923770 0.89 CTSS (0.41) CTSSCTSKCTSLCTSBTLR9
SCHEMBL13423621 0.89 HDAC6 (0.38) CTSSCTSKCTSLCTSBCXCR3
SCHEMBL3910878 0.89 CTSS (0.48) CTSSCTSKCTSLCTSBCXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CTSS 37/4885CTSK 135/4885CTSL 31/4885

“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.