SCHEMBL1083232

SCHEMBL1083232

CN1CCN(c2ccc(Nc3nc(N[C@H]4CCCNC4)cc4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.50
JAK2 O60674 1/20 0.49
LYN P07948 1/20 0.49
SYK P43405 1/20 0.49
FER P16591 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
SLC2A1 P11166 1/20 0.44
JAK3 P52333 2/20 0.42
BTK Q06187 1/20 0.42
EGFR P00533 3/20 0.41
MAPKAPK5 Q8IW41 1/20 0.40

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
SCHEMBL12928820 1.00 ZAP70 (0.50) ZAP70JAK2LYNSYKFER
SCHEMBL12928842 0.91 ZAP70 (0.61) ZAP70JAK2LYNSYKIRAK4
SCHEMBL1044187 0.91 ZAP70 (0.61) ZAP70JAK2LYNSYKIRAK4
SCHEMBL1049008 0.91 ZAP70 (0.61) ZAP70JAK2LYNSYKIRAK4
SCHEMBL1056396 0.87 SYK (0.59) ZAP70JAK2LYNSYKIRAK4
SCHEMBL1047667 0.85 ZAP70 (0.63) ZAP70JAK2LYNSYKFER
SCHEMBL1049402 0.85 ZAP70 (0.63) ZAP70JAK2LYNSYKFER
SCHEMBL12928844 0.85 ZAP70 (0.63) ZAP70JAK2LYNSYKFER
SCHEMBL12928827 0.82 FER (0.66) ZAP70JAK2LYNSYKFER
SCHEMBL1046602 0.82 FER (0.66) ZAP70JAK2LYNSYKFER

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
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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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 4/4885JAK2 63/4885LYN 13/4885

“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.