SCHEMBL3179568

SCHEMBL3179568

CN1CCN(C(=O)C2CCN(Cc3ccc(C(=O)NN(c4nc(C#N)ncc4Br)C4CCCCC4)cc3)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.62
CTSK P43235 4/20 0.62
CTSL P07711 3/20 0.62
CTSB P07858 1/20 0.62
PRKAA2 P54646 7/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
PRKAB2 O43741 4/20 0.39
PRKAG1 P54619 4/20 0.39
PRKAA1 Q13131 4/20 0.39
PRKAG3 Q9UGI9 4/20 0.39
PRKAG2 Q9UGJ0 4/20 0.39
PRKAB1 Q9Y478 4/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TBK1 Q9UHD2 1/20 0.37
RORC P51449 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3169210 0.99 CTSS (0.63) CTSSCTSKCTSLCTSBPRKAA2
Trifluoroacetic Acid SCHEMBL3165193 0.95 CTSS (0.57) CTSSCTSKCTSLCTSBPRKAA2
Trifluoroacetic Acid SCHEMBL3174615 0.94 CTSS (0.58) CTSSCTSKCTSLCTSBPRKAA2
SCHEMBL3165646 0.94 CTSS (0.60) CTSSCTSKCTSLCTSBPRKAA2
SCHEMBL3169264 0.94 CTSS (0.60) CTSSCTSKCTSLCTSBPRKAA2
SCHEMBL3168821 0.93 CTSS (0.70) CTSSCTSKCTSLCTSBPRKAA2
SCHEMBL13524286 0.93 CTSS (0.57) CTSSCTSKCTSLCTSBPRKAA2
SCHEMBL3168779 0.92 CTSS (0.71) CTSSCTSKCTSLCTSBHDAC6
Hydrochloric Acid SCHEMBL3169383 0.92 CTSS (0.70) CTSSCTSKCTSLCTSBHDAC6
SCHEMBL3179697 0.92 CTSS (0.52) CTSSCTSKCTSLCTSBPRKAA2

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 13 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 claimed
EP-2030621-A1 Novel substituted pyrimidines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-03-04 EP claimed
EP-1947091-A1 Pyrimidyl nitrile derivatives as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-07-23 EP claimed
EP-1918284-A1 Hydrazinopyrimidines as cysteine protease inhibitors GLAXO GROUP (GB) 2008-05-07 EP claimed
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 CTSS 15/4885CTSK 65/4885CTSL 9/4885

“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.