SCHEMBL1048656

SCHEMBL1048656

CN(C)CC(=O)N1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4cc[nH]c(=O)c34)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 16/20 0.61
JAK1 P23458 2/20 0.38
JAK2 O60674 1/20 0.38
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 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
SCHEMBL1046832 0.91 ZAP70 (0.75) ZAP70JAK1JAK2TLR9TLR8
SCHEMBL1047399 0.88 ZAP70 (0.74) ZAP70JAK1JAK2
SCHEMBL1047597 0.86 ZAP70 (0.81) ZAP70
SCHEMBL1050524 0.82 ZAP70 (0.64) ZAP70JAK1JAK2
SCHEMBL1048199 0.80 ZAP70 (0.73) ZAP70JAK1JAK2
SCHEMBL1049512 0.80 ZAP70 (0.81) ZAP70JAK1
SCHEMBL3356474 0.80 ZAP70 (0.37) ZAP70TLR9TLR8TLR7
SCHEMBL1049900 0.78 ZAP70 (0.72) ZAP70
SCHEMBL1048203 0.78 ZAP70 (0.80) ZAP70JAK1JAK2
SCHEMBL27826506 0.77 ZAP70 (0.35) ZAP70TLR9TLR8TLR7

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 8 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
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
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 4/4885JAK1 90/4885JAK2 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.