SCHEMBL1049401

SCHEMBL1049401

CCOC(=O)CCN1CCC(c2ccc(Nc3nc(-c4cncc(OC)c4)cc4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.85
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
JAK1 P23458 2/20 0.38
SYK P43405 2/20 0.37
JAK2 O60674 2/20 0.37
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 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
SCHEMBL1045821 0.92 ZAP70 (1.00) ZAP70TLR9TLR8TLR7JAK1
SCHEMBL1047375 0.89 ZAP70 (0.67) ZAP70JAK1JAK3
SCHEMBL1047354 0.86 ZAP70 (0.81) ZAP70JAK1SYK
SCHEMBL1043305 0.86 ZAP70 (0.80) ZAP70TLR9TLR8TLR7SYK
SCHEMBL1048857 0.86 ZAP70 (0.80) ZAP70TLR9TLR8TLR7JAK1
SCHEMBL1046871 0.85 ZAP70 (0.76) ZAP70JAK1
SCHEMBL1048840 0.85 ZAP70 (0.80) ZAP70JAK1SYKJAK3
Methanesulfonamide SCHEMBL27826799 0.85 ZAP70 (0.75) ZAP70TLR9TLR8TLR7JAK1
SCHEMBL1047376 0.84 ZAP70 (0.75) ZAP70JAK1SYK
SCHEMBL1048148 0.83 ZAP70 (0.76) ZAP70JAK1SYK

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
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
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

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 4/4885TLR9 457/4885TLR8 577/4885

“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.