SCHEMBL3174379

SCHEMBL3174379

CC(C)(C)OC(=O)NN(c1nc(Cl)ncc1Br)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ATR Q13535 1/20 0.34
BTK Q06187 2/20 0.34
JAK3 P52333 1/20 0.34
CACNA1B Q00975 2/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
IGF1R P08069 1/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
ATF1 P18846 1/20 0.32
NFKB1 P19838 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL3169517 0.99 STK17B (0.38) STK17BSTK17AATRBTKJAK3
SCHEMBL3169120 0.92 STK17B (0.36) STK17BSTK17AATRBTKJAK3
SCHEMBL8202829 0.89 STK17B (0.36) STK17BSTK17AATRBTKJAK3
SCHEMBL8205824 0.89 STK17B (0.36) STK17BSTK17AATRBTKJAK3
SCHEMBL3168687 0.89 STK17B (0.36) STK17BSTK17AATRBTKJAK3
SCHEMBL3165225 0.89 STK17B (0.36) STK17BSTK17AATRBTKJAK3
SCHEMBL3176701 0.89 ABL1 (0.35) STK17BSTK17ABTKJAK3ABL1
SCHEMBL3168722 0.89 STK17B (0.45) STK17BSTK17AATRBTKJAK3
SCHEMBL3169584 0.89 STK17B (0.36) STK17BSTK17ABTKJAK3ABL1
SCHEMBL3174582 0.88 STK17B (0.44) STK17BSTK17AATRBTKJAK3

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-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
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 STK17B 1868/4885STK17A 1990/4885ATR 2148/4885

“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.