SCHEMBL3318984

SCHEMBL3318984

CN1CCN(Cc2ccc(C(=O)NN(c3nc(C#N)nc4c3ncn4C(=O)N3CCN(C)CC3)C3CCCC3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.49
CTSK P43235 7/20 0.49
CTSL P07711 7/20 0.49
CTSB P07858 2/20 0.49
HDAC6 Q9UBN7 1/20 0.39
TBK1 Q9UHD2 2/20 0.39
IKBKE Q14164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHKA P35790 1/20 0.35
PRKAA2 P54646 4/20 0.35
ABL1 P00519 2/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
BTK Q06187 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
SCHEMBL3318590 0.99 CTSL (0.48) CTSSCTSKCTSLCTSBHDAC6
Trifluoroacetic Acid SCHEMBL3317200 0.95 CTSS (0.45) CTSSCTSKCTSLCTSBHDAC6
Trifluoroacetic Acid SCHEMBL3322367 0.95 CTSS (0.45) CTSSCTSKCTSLCTSBHDAC6
SCHEMBL3318220 0.90 CTSS (0.52) CTSSCTSKCTSLCTSBHDAC6
SCHEMBL3315529 0.86 CTSS (0.47) CTSSCTSKCTSLCTSBTBK1
SCHEMBL3320348 0.86 CTSL (0.48) CTSSCTSKCTSLCTSBHDAC6
SCHEMBL3322741 0.86 CTSS (0.47) CTSSCTSKCTSLCTSBHRH3
SCHEMBL3319998 0.85 CTSL (0.48) CTSSCTSKCTSLCTSBHDAC6
Trifluoroacetic Acid SCHEMBL3320277 0.85 CTSS (0.48) CTSSCTSKCTSLCTSBHDAC6
SCHEMBL3320153 0.85 CTSL (0.47) CTSSCTSKCTSLCTSBHDAC6

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 12 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-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP claimed
EP-2028182-A1 Cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-02-25 EP claimed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO 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-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
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
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.