SCHEMBL1158649

SCHEMBL1158649

CCc1ccnc(Nc2cc3cc[nH]c(=O)c3c(NC(C)C)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
JAK2 O60674 7/20 0.39
SYK P43405 4/20 0.37
FER P16591 1/20 0.36
ZAP70 P43403 6/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MAP3K12 Q12852 1/20 0.34
LYN P07948 2/20 0.34
KCNH2 Q12809 2/20 0.33
RIOK2 Q9BVS4 1/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 1/20 0.32

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
SCHEMBL1158555 0.92 JAK2 (0.38) ELANEJAK2SYKFERZAP70
SCHEMBL1158912 0.91 SYK (0.40) JAK2SYKFERZAP70LYN
SCHEMBL1158174 0.86 JAK2 (0.41) JAK2SYKFERZAP70LYN
SCHEMBL1158573 0.86 FER (0.43) JAK2SYKFERZAP70MAP3K12
SCHEMBL1158120 0.84 SYK (0.44) JAK2SYKFERZAP70MAP3K12
SCHEMBL1159564 0.82 IDH2 (0.40) JAK2SYKFERZAP70LYN
SCHEMBL1158371 0.82 TYK2 (0.43) JAK2SYKFERZAP70LYN
SCHEMBL1158519 0.82 SYK (0.52) JAK2SYKFERZAP70LYN
SCHEMBL1158369 0.82 PRKD1 (0.39) JAK2SYKFERZAP70MAP3K12
SCHEMBL1158202 0.80 FER (0.39) JAK2SYKFERZAP70TYK2

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
EP-2459556-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2012-06-06 EP claimed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US claimed
WO-2011014515-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 WO 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
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 ELANE 2920/4885JAK2 19/4885SYK 1/4885

“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.