SCHEMBL6524855

SCHEMBL6524855

CN(C)CCNC(=O)c1ccnc(Nc2cc3ccn(CCO)c(=O)c3c(NC(C)(C)C)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.36
WNT1 P04628 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
FLT3 P36888 2/20 0.34
TP53 P04637 1/20 0.34
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
PIP5K1C O60331 1/20 0.33
PIK3CA P42336 1/20 0.33
MAPK7 Q13164 1/20 0.33
CDC7 O00311 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
HPGD P15428 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33

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
SCHEMBL1158840 0.90 SYK (0.38) SYKTP53AURKAAURKBHPGD
SCHEMBL6523241 0.88 SYK (0.39) SYKHDAC4HDAC1HDAC6BRAF
SCHEMBL1159345 0.86 SYK (0.41) SYK
SCHEMBL6522975 0.86 SYK (0.41) SYK
SCHEMBL6519643 0.86 SYK (0.34) SYK
SCHEMBL1158718 0.85 SYK (0.41) SYKFLT3CCNE1CDK2PLK1
SCHEMBL6526558 0.83 SYK (0.35) SYK
SCHEMBL6526552 0.83 SYK (0.35) SYK
SCHEMBL1159011 0.82 SYK (0.39) SYK
SCHEMBL6520120 0.82 SYK (0.39) SYK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US claimed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US disclosed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US disclosed
WO-2011014515-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 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-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS SYK, BTK, LYN SYK 1/4885WNT1 3627/4885CLK2 503/4885

“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.