SCHEMBL3174464

SCHEMBL3174464

CCCCCCN(C)Cc1ccc(C(=O)NN(c2nc(C#N)ncc2Cl)C2CCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.40
CTSL P07711 5/20 0.40
CTSS P25774 4/20 0.40
CTSB P07858 1/20 0.40
SIGMAR1 Q99720 6/20 0.36
TMEM97 Q5BJF2 5/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ITK Q08881 3/20 0.34
USP7 Q93009 2/20 0.33
USP10 Q14694 1/20 0.33
KDM5A P29375 2/20 0.33
KDM4A O75164 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL3166033 0.97 CTSK (0.41) CTSKCTSLCTSSCTSBSIGMAR1
Trifluoroacetic Acid SCHEMBL3168828 0.95 CTSL (0.37) CTSKCTSLCTSSCTSBSIGMAR1
SCHEMBL3168819 0.94 CTSK (0.42) CTSKCTSLCTSSCTSBSIGMAR1
Trifluoroacetic Acid SCHEMBL3166098 0.92 CTSL (0.38) CTSKCTSLCTSSCTSBSIGMAR1
SCHEMBL3165918 0.90 CTSK (0.42) CTSKCTSLCTSSCTSBSIGMAR1
SCHEMBL3176722 0.90 CTSK (0.43) CTSKCTSLCTSSCTSBITK
SCHEMBL3165113 0.89 CTSS (0.46) CTSKCTSLCTSSCTSBSIGMAR1
SCHEMBL3954017 0.89 CTSK (0.41) CTSKCTSLCTSSCTSBSIGMAR1
Trifluoroacetic Acid SCHEMBL3159557 0.88 CTSL (0.39) CTSKCTSLCTSSCTSBSIGMAR1
SCHEMBL3174539 0.88 CTSL (0.47) CTSKCTSLCTSSCTSBSIGMAR1

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 6 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
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

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 CTSK 65/4885CTSL 9/4885CTSS 15/4885

“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.