SCHEMBL8202829

SCHEMBL8202829

C[C@@H]1CCC[C@@H]1N(NC(=O)OC(C)(C)C)c1nc(Cl)ncc1Br

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
ATR Q13535 1/20 0.32
UCHL1 P09936 1/20 0.32
IGF1R P08069 1/20 0.31
CACNA1B Q00975 2/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3165225 1.00 STK17B (0.36) STK17BSTK17AABL1BCRJAK3
SCHEMBL8205824 1.00 STK17B (0.36) STK17BSTK17AABL1BCRJAK3
SCHEMBL3168687 1.00 STK17B (0.36) STK17BSTK17AABL1BCRJAK3
SCHEMBL3174379 0.89 STK17B (0.39) STK17BSTK17AABL1BCRJAK3
SCHEMBL3169517 0.89 STK17B (0.38) STK17BSTK17AABL1BCRJAK3
SCHEMBL3173726 0.85 CTSL (0.35) JAK3BTK
SCHEMBL3166419 0.85 CTSL (0.35) JAK3BTK
SCHEMBL8205623 0.85 CTSL (0.35) JAK3BTK
SCHEMBL8193158 0.85 CTSL (0.35) JAK3BTK
SCHEMBL3169584 0.83 STK17B (0.36) STK17BSTK17AABL1BCRJAK3

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 5 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
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

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 STK17B 1868/4885STK17A 1990/4885ABL1 1063/4885

“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.