SCHEMBL1158115

SCHEMBL1158115

CC(C)C(C)Nc1nc(Nc2ccccn2)cc2cc[nH]c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.43
PLK1 P53350 1/20 0.39
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
CDC25B P30305 1/20 0.38
CASP6 P55212 1/20 0.38
RCE1 Q9Y256 1/20 0.38
TYK2 P29597 1/20 0.37
FER P16591 1/20 0.37
ZAP70 P43403 5/20 0.37
GRM5 P41594 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
LRRK2 Q5S007 1/20 0.35
LYN P07948 3/20 0.35
SYK P43405 3/20 0.35
KCNH2 Q12809 2/20 0.34
FLT3 P36888 1/20 0.34
EGFR P00533 1/20 0.33
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 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
SCHEMBL1158779 0.87 MEN1 (0.38) JAK2APAF1TDP2CDC25BCASP6
SCHEMBL1158516 0.87 MEN1 (0.38) JAK2APAF1TDP2CDC25BCASP6
SCHEMBL1158143 0.87 JAK2 (0.43) JAK2TYK2FERZAP70LYN
SCHEMBL1158263 0.86 GRM5 (0.39) JAK2APAF1TDP2CDC25BCASP6
SCHEMBL1158763 0.86 GRM5 (0.39) JAK2APAF1TDP2CDC25BCASP6
SCHEMBL1158368 0.86 GRM5 (0.39) JAK2APAF1TDP2CDC25BCASP6
SCHEMBL1158539 0.86 ZAP70 (0.37) JAK2PLK1APAF1TDP2CDC25B
SCHEMBL1158401 0.85 TRPM8 (0.41) JAK2APAF1TDP2CDC25BCASP6
SCHEMBL1158433 0.84 ZAP70 (0.40) JAK2APAF1TDP2CDC25BCASP6
SCHEMBL1159564 0.80 IDH2 (0.40) JAK2FERZAP70LYNSYK

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 7 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
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 JAK2 19/4885PLK1 275/4885APAF1 1097/4885

“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.