SCHEMBL3320272

SCHEMBL3320272

CN(C)C1CCN(C(=O)n2cnc3c(N(NC(=O)OC(C)(C)C)C4CCCC4)nc(C#N)nc32)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.34
CTSS P25774 7/20 0.33
NSD2 O96028 1/20 0.33
JAK3 P52333 2/20 0.32
BTK Q06187 2/20 0.32
LCK P06239 2/20 0.31
CTSL P07711 1/20 0.31
CTSK P43235 1/20 0.31
FYN P06241 1/20 0.31
LYN P07948 1/20 0.31
HCK P08631 1/20 0.31
SRC P12931 1/20 0.31
FRK P42685 1/20 0.31
BLK P51451 1/20 0.31
PTK6 Q13882 1/20 0.31
PIK3CD O00329 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
Trifluoroacetic Acid SCHEMBL3319601 0.96 CTSS (0.34) GPR119CTSSNSD2
SCHEMBL3318584 0.91 CTSS (0.38) GPR119CTSSNSD2JAK3BTK
SCHEMBL3319971 0.91 CTSS (0.40) GPR119CTSSNSD2JAK3BTK
SCHEMBL8130225 0.88 SRC (0.35) GPR119LCKFYNLYNHCK
Trifluoroacetic Acid SCHEMBL3320169 0.86 CTSS (0.37) CTSSCTSLCTSK
SCHEMBL3315815 0.83 CDK1 (0.39) CTSSCTSL
SCHEMBL3320009 0.82 CDK1 (0.41) CTSSCTSLCTSK
SCHEMBL8135722 0.82 CTSS (0.41) GPR119CTSSCTSKPIK3CD
SCHEMBL3317204 0.82 CTSL (0.34) CTSSCTSLCTSK
SCHEMBL3319215 0.81 CTSL (0.46) GPR119CTSSCTSLCTSK

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 8 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 claimed
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP claimed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO claimed
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
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 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 GPR119 3370/4885CTSS 37/4885NSD2 2073/4885

“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.