SCHEMBL1047822

SCHEMBL1047822

CC(=O)N1CCC(c2ccc(Nc3nc(Nc4ccccc4S(N)(=O)=O)cc4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 9/20 0.54
FER P16591 1/20 0.40
JAK2 O60674 4/20 0.39
BRD4 O60885 2/20 0.39
BTK Q06187 1/20 0.39
SYK P43405 2/20 0.39
JAK1 P23458 2/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
AXL P30530 1/20 0.38
TYK2 P29597 1/20 0.38
EGFR P00533 1/20 0.37
LYN P07948 1/20 0.37
KCNH2 Q12809 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
SCHEMBL1048578 0.91 ZAP70 (0.58) ZAP70FERJAK2BRD4SYK
SCHEMBL1043426 0.89 ZAP70 (0.53) ZAP70FERJAK2SYKJAK3
SCHEMBL1046732 0.88 ZAP70 (0.52) ZAP70FERJAK2SYKJAK3
SCHEMBL1048284 0.86 ZAP70 (0.51) ZAP70FERJAK2SYKJAK1
SCHEMBL1048755 0.86 ZAP70 (0.58) ZAP70FERJAK2SYKTYK2
SCHEMBL1048111 0.82 ZAP70 (0.57) ZAP70FERJAK2BRD4JAK1
SCHEMBL27826808 0.81 ZAP70 (0.57) ZAP70FERJAK2BRD4SYK
SCHEMBL1060346 0.80 ZAP70 (0.47) ZAP70JAK2BRD4SYKJAK3
SCHEMBL1044243 0.80 ZAP70 (0.55) ZAP70FERJAK2BTKSYK
SCHEMBL1048642 0.80 ZAP70 (0.64) ZAP70BTKSYKJAK1AXL

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 9 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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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
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 4/4885FER 7/4885JAK2 63/4885

“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.