SCHEMBL3176633

SCHEMBL3176633

CC(C)(C)OC(=O)NN(c1nc(C#N)ncc1Br)C1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.35
CTSS P25774 3/20 0.35
CTSB P07858 2/20 0.35
CTSD P07339 1/20 0.35
CTSK P43235 2/20 0.35
GPR119 Q8TDV5 2/20 0.34
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL3174452 0.92 CTSS (0.37) CTSLCTSSCTSBCTSKGPR119
SCHEMBL3166486 0.91 CTSS (0.36) CTSLCTSSCTSBCTSKGPR119
SCHEMBL3174441 0.89 JAK3 (0.36) CTSLCTSSCTSBCTSDCTSK
SCHEMBL3166667 0.86 GPR119 (0.40) CTSLCTSSCTSBCTSKGPR119
SCHEMBL3168776 0.86 CTSL (0.34) CTSLCTSSCTSBCTSKGPR119
SCHEMBL3169120 0.85 STK17B (0.36) CTSLCTSSCTSBCTSDJAK3
SCHEMBL3173726 0.83 CTSL (0.35) CTSLCTSSCTSBCTSKGPR119
SCHEMBL3166419 0.83 CTSL (0.35) CTSLCTSSCTSBCTSKGPR119
SCHEMBL8205623 0.83 CTSL (0.35) CTSLCTSSCTSBCTSKGPR119
SCHEMBL8193158 0.83 CTSL (0.35) CTSLCTSSCTSBCTSKGPR119

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-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
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
EP-1918284-A1 Hydrazinopyrimidines as cysteine protease inhibitors GLAXO GROUP (GB) 2008-05-07 EP 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 CTSL 9/4885CTSS 15/4885CTSB 47/4885

“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.