SCHEMBL8125809

SCHEMBL8125809

CC(C)(C)CN(NC(=O)OC(C)(C)C)c1ccnc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.42
AAK1 Q2M2I8 8/20 0.41
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
GPR4 P46093 2/20 0.35
AKT1 P31749 2/20 0.35
SYK P43405 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34

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
SCHEMBL8140939 0.86 AAK1 (0.47) ATRAAK1STK17BSTK17A
SCHEMBL5793805 0.82 CTSK (0.52) ATRAAK1GPR4AKT1
SCHEMBL5794142 0.81 MEN1 (0.40) ATRAAK1STK17BSTK17AGPR4
SCHEMBL5306339 0.78 STK17B (0.49) ATRAAK1STK17BSTK17AAKT1
SCHEMBL5823667 0.77 STK17B (0.43) ATRAAK1STK17BSTK17AAKT1
SCHEMBL3176616 0.76 STK17B (0.42) ATRAAK1STK17BSTK17AAKT1
SCHEMBL8244837 0.76 STK17B (0.42) ATRAAK1STK17BSTK17AAKT1
SCHEMBL5821392 0.75 GPR4 (0.40) ATRAAK1GPR4MEN1RAB9A
SCHEMBL15740829 0.74 SYK (0.46) ATRAAK1STK17BSTK17ASYK
SCHEMBL25414019 0.74 SYK (0.42) ATRAAK1STK17BSTK17ASYK

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-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
EP-2028182-A1 Cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-02-25 EP disclosed
EP-1972630-A1 Purines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-09-24 EP disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO disclosed
WO-2006027211-A1 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-16 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-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS CPN1, SERPINB1, PNP ATR 2597/4885AAK1 2391/4885STK17B 2781/4885

“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.