SCHEMBL6521455

SCHEMBL6521455

C[C@@H]1CN(c2ccc(Nc3nc(C=CC(=O)O)cc4cc[nH]c(=O)c34)cn2)CCO1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 12/20 0.53
JAK2 O60674 3/20 0.39
JAK1 P23458 1/20 0.39
AKT1 P31749 1/20 0.39
SYK P43405 2/20 0.39
BTK Q06187 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMO Q99835 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL1158387 1.00 ZAP70 (0.53) ZAP70JAK2JAK1AKT1SYK
SCHEMBL12795564 0.83 ZAP70 (0.55) ZAP70JAK2JAK1AKT1SYK
SCHEMBL13752683 0.81 ZAP70 (0.67) ZAP70SYK
SCHEMBL1048347 0.81 ZAP70 (0.67) ZAP70SYK
SCHEMBL1049147 0.81 ZAP70 (0.67) ZAP70SYK
SCHEMBL1049368 0.80 ZAP70 (0.68) ZAP70SYK
SCHEMBL1046857 0.79 ZAP70 (0.61) ZAP70JAK2JAK1SYKNR3C2
SCHEMBL1047173 0.79 ZAP70 (0.61) ZAP70JAK2JAK1SYKSMO
SCHEMBL1049293 0.79 ZAP70 (0.65) ZAP70AKT1SYK
SCHEMBL1049115 0.79 ZAP70 (0.65) ZAP70JAK2JAK1SYKNR3C2

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 5 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
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 ZAP70 5/4885JAK2 19/4885JAK1 42/4885

“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.