SCHEMBL3169244

SCHEMBL3169244

CC(C)(C)OC(=O)NN(c1nc(C#N)ncc1Cl)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
GPR119 Q8TDV5 3/20 0.36
CTSS P25774 7/20 0.35
CTSL P07711 5/20 0.35
CTSK P43235 4/20 0.35
CNR2 P34972 2/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
SYK P43405 1/20 0.34
ATR Q13535 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CDK9 P50750 1/20 0.32
CHEK1 O14757 1/20 0.31
RPS6KA3 P51812 1/20 0.31
SRPK1 Q96SB4 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL3165883 0.99 JAK3 (0.40) JAK3BTKGPR119CTSSCTSL
SCHEMBL3174441 0.92 JAK3 (0.36) JAK3BTKGPR119CTSSCTSL
SCHEMBL3174452 0.88 CTSS (0.37) JAK3BTKGPR119CTSSCTSL
SCHEMBL3166486 0.87 CTSS (0.36) JAK3BTKGPR119CTSSCTSL
SCHEMBL3168722 0.86 STK17B (0.45) JAK3BTKCNR2STK17BSTK17A
SCHEMBL3174582 0.85 STK17B (0.44) JAK3BTKCNR2STK17BSTK17A
SCHEMBL5302084 0.84 CTSS (0.42) JAK3BTKGPR119CTSSCTSL
SCHEMBL13525093 0.84 CTSS (0.38) CTSSCTSLCTSKCNR2CTSB
SCHEMBL3176633 0.80 CTSL (0.35) JAK3BTKGPR119CTSSCTSL
SCHEMBL8211313 0.79 FNTA (0.39) CTSSCTSLCTSKSTK17BSTK17A

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 7 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
WO-2008052934-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-08 WO 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 JAK3 2642/4885BTK 2210/4885GPR119 4158/4885

“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.