SCHEMBL1045805

SCHEMBL1045805

CNC(=O)C(C)(C)c1ccc(Nc2nc(Nc3ccccc3S(N)(=O)=O)cc3cc[nH]c(=O)c23)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.58
FER P16591 1/20 0.37
TYK2 P29597 1/20 0.35
JAK2 O60674 4/20 0.35
LYN P07948 4/20 0.35
SYK P43405 4/20 0.35
KCNH2 Q12809 2/20 0.35
BCAT2 O15382 1/20 0.35
FLT3 P36888 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
TRPV1 Q8NER1 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 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
SCHEMBL1044243 0.83 ZAP70 (0.55) ZAP70FERTYK2JAK2LYN
SCHEMBL1047072 0.83 ZAP70 (0.51) ZAP70FERTYK2JAK2LYN
SCHEMBL1048163 0.82 ZAP70 (0.49) ZAP70FERTYK2JAK2SYK
SCHEMBL1048250 0.79 ZAP70 (0.50) ZAP70FER
SCHEMBL1047208 0.78 ZAP70 (0.63) ZAP70FERTYK2JAK2SYK
SCHEMBL1047822 0.78 ZAP70 (0.54) ZAP70FERTYK2JAK2LYN
SCHEMBL1048284 0.77 ZAP70 (0.51) ZAP70FERTYK2JAK2LYN
SCHEMBL1047387 0.77 ZAP70 (0.77) ZAP70JAK2LYNSYKKCNH2
SCHEMBL1048578 0.77 ZAP70 (0.58) ZAP70FERTYK2JAK2LYN
SCHEMBL1048755 0.77 ZAP70 (0.58) ZAP70FERTYK2JAK2LYN

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-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US claimed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US claimed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET ZAP70 4/4885FER 7/4885TYK2 70/4885

“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.