SCHEMBL3174452

SCHEMBL3174452

CC(C)(C)OC(=O)NN(c1nc(C#N)ncc1Br)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.37
CTSL P07711 6/20 0.37
CTSK P43235 5/20 0.37
CTSB P07858 2/20 0.37
JAK3 P52333 2/20 0.36
BTK Q06187 2/20 0.36
GPR119 Q8TDV5 3/20 0.36
LCK P06239 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
IGF1R P08069 1/20 0.31
NSD2 O96028 1/20 0.31
CACNA1B Q00975 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
MAPKAPK2 P49137 1/20 0.30

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
SCHEMBL3166486 0.99 CTSS (0.36) CTSSCTSLCTSKCTSBJAK3
SCHEMBL3176633 0.92 CTSL (0.35) CTSSCTSLCTSKCTSBJAK3
SCHEMBL3166419 0.90 CTSL (0.35) CTSSCTSLCTSKCTSBJAK3
SCHEMBL8193158 0.90 CTSL (0.35) CTSSCTSLCTSKCTSBJAK3
SCHEMBL8205623 0.90 CTSL (0.35) CTSSCTSLCTSKCTSBJAK3
SCHEMBL3173726 0.90 CTSL (0.35) CTSSCTSLCTSKCTSBJAK3
SCHEMBL3166667 0.90 GPR119 (0.40) CTSSCTSLCTSKCTSBJAK3
SCHEMBL3168776 0.89 CTSL (0.34) CTSSCTSLCTSKCTSBJAK3
SCHEMBL3169244 0.88 JAK3 (0.40) CTSSCTSLCTSKCTSBJAK3
SCHEMBL3165883 0.87 JAK3 (0.40) CTSSCTSLCTSKJAK3BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
EP-2077841-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-07-15 EP disclosed
EP-2030621-A1 Novel substituted pyrimidines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-03-04 EP disclosed
EP-1947091-A1 Pyrimidyl nitrile derivatives as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2008052934-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-08 WO disclosed
WO-2008052934-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-08 WO disclosed
EP-1918284-A1 Hydrazinopyrimidines as cysteine protease inhibitors GLAXO GROUP (GB) 2008-05-07 EP 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-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS SERPINB1, CTRL, PRSS1 CTSS 15/4885CTSL 9/4885CTSK 65/4885

“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.