SCHEMBL1158718

SCHEMBL1158718

CC(C)(C)Nc1nc(Nc2cc(C(N)=O)ccn2)cc2ccn(CCO)c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.41
CDK2 P24941 2/20 0.36
CCNA2 P20248 1/20 0.36
TTK P33981 1/20 0.36
RPS27 P42677 1/20 0.36
MAPK8 P45983 1/20 0.36
MAP3K12 Q12852 1/20 0.35
PRKD1 Q15139 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
NTRK1 P04629 1/20 0.32
MAPK3 P27361 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KIT P10721 1/20 0.31
FLT3 P36888 1/20 0.31
JAK3 P52333 1/20 0.31
PLK1 P53350 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
CCNE2 O96020 1/20 0.30

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
SCHEMBL6522975 0.92 SYK (0.41) SYKNTRK1
SCHEMBL1159345 0.92 SYK (0.41) SYKNTRK1
SCHEMBL1159007 0.91 SYK (0.40) SYKCDK2CCNA2TTKRPS27
SCHEMBL1159005 0.91 SYK (0.40) SYKCDK2CCNA2TTKRPS27
SCHEMBL6523241 0.90 SYK (0.39) SYKNTRK1HDAC1HDAC8HDAC6
SCHEMBL1158733 0.88 SYK (0.40) SYKCDK2CCNA2TTKRPS27
SCHEMBL1159011 0.88 SYK (0.39) SYK
SCHEMBL6520120 0.88 SYK (0.39) SYK
SCHEMBL6520139 0.88 SYK (0.39) SYK
SCHEMBL6520133 0.88 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 6 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
EP-2459556-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2012-06-06 EP disclosed
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
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 1/4885CDK2 953/4885CCNA2 3434/4885

“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.