SCHEMBL3176701

SCHEMBL3176701

CC(=O)N1CCC(N(NC(=O)OC(C)(C)C)c2nc(Cl)ncc2Br)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
ALK Q9UM73 2/20 0.33
IKBKB O14920 1/20 0.33
GPR119 Q8TDV5 8/20 0.33
MAPT P10636 2/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3174379 0.89 STK17B (0.39) ABL1BCRSTK17BSTK17AMAPT
SCHEMBL3169517 0.88 STK17B (0.38) ABL1BCRSTK17BSTK17AMAPT
SCHEMBL14199344 0.86 ABL1 (0.39) ABL1BCRALKIKBKBMAPT
SCHEMBL3166667 0.86 GPR119 (0.40) GPR119JAK3BTK
SCHEMBL3169120 0.85 STK17B (0.36) ABL1BCRSTK17BSTK17AJAK3
SCHEMBL3159630 0.84 GRIN2B (0.42) GPR119
SCHEMBL3169584 0.82 STK17B (0.36) ABL1BCRSTK17BSTK17AJAK3
SCHEMBL8202829 0.79 STK17B (0.36) ABL1BCRSTK17BSTK17AJAK3
SCHEMBL3168687 0.79 STK17B (0.36) ABL1BCRSTK17BSTK17AJAK3
SCHEMBL3165225 0.79 STK17B (0.36) ABL1BCRSTK17BSTK17AJAK3

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-2077841-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-07-15 EP 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

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 ABL1 1063/4885BCR 2101/4885STK17B 1868/4885

“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.