SCHEMBL1045562

SCHEMBL1045562

Cn1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(S(C)(=O)=O)C4)cc3)n2)cn1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 16/20 0.62
IRAK1 P51617 1/20 0.38
MAP4K3 Q8IVH8 1/20 0.38
MAP4K1 Q92918 1/20 0.38
CHEK1 O14757 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL1049650 0.95 ZAP70 (0.66) ZAP70MAP4K3MAP4K1CHEK1
SCHEMBL1048283 0.89 ZAP70 (0.76) ZAP70
SCHEMBL1048610 0.88 ZAP70 (0.79) ZAP70MAP4K3MAP4K1CHEK1JAK1
SCHEMBL1043376 0.87 ZAP70 (0.62) ZAP70
SCHEMBL12849100 0.85 ZAP70 (0.67) ZAP70CHEK1JAK2JAK1
SCHEMBL1047742 0.85 ZAP70 (0.72) ZAP70
SCHEMBL1047309 0.85 ZAP70 (0.67) ZAP70MAP4K3MAP4K1JAK1
SCHEMBL1046571 0.84 ZAP70 (0.66) ZAP70JAK2JAK1
SCHEMBL1048411 0.84 ZAP70 (0.79) ZAP70
SCHEMBL1044350 0.84 ZAP70 (0.79) ZAP70JAK1

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 10 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
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
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
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP 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 4/4885IRAK1 105/4885MAP4K3 305/4885

“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.