SCHEMBL3176006

SCHEMBL3176006

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.43
CTSS P25774 7/20 0.43
CTSL P07711 6/20 0.43
CTSB P07858 1/20 0.43
S1PR1 P21453 2/20 0.34
ITK Q08881 4/20 0.33
POLB P06746 1/20 0.33
F10 P00742 2/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 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
Trifluoroacetic Acid SCHEMBL3159606 0.95 CTSL (0.40) CTSKCTSSCTSLCTSBS1PR1
SCHEMBL3176722 0.91 CTSK (0.43) CTSKCTSSCTSLCTSBITK
SCHEMBL3169251 0.90 CTSK (0.42) CTSKCTSSCTSLCTSBS1PR1
SCHEMBL3168819 0.89 CTSK (0.42) CTSKCTSSCTSLCTSBITK
SCHEMBL3165918 0.89 CTSK (0.42) CTSKCTSSCTSLCTSBITK
SCHEMBL3173592 0.88 ITK (0.43) CTSKCTSSCTSLCTSBITK
SCHEMBL3166033 0.88 CTSK (0.41) CTSKCTSSCTSLCTSBITK
SCHEMBL3954017 0.88 CTSK (0.41) CTSKCTSSCTSLCTSBITK
SCHEMBL3165496 0.87 CTSK (0.46) CTSKCTSSCTSLCTSBITK
SCHEMBL8209425 0.87 S1PR1 (0.35) S1PR1ITKPOLBF10KCNH2

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 65/4885CTSS 15/4885CTSL 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.