SCHEMBL1045875

SCHEMBL1045875

CC(C)Cn1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(C(=O)CS(C)(=O)=O)CC4)cc3)n2)cn1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.82
TLR9 Q9NR96 4/20 0.39
TLR8 Q9NR97 4/20 0.39
TLR7 Q9NYK1 4/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
JAK1 P23458 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
SCHEMBL1045867 0.90 ZAP70 (0.84) ZAP70TLR9TLR8TLR7BRD4
SCHEMBL1047037 0.90 ZAP70 (1.00) ZAP70BRD4CREBBPJAK1
SCHEMBL1048411 0.89 ZAP70 (0.79) ZAP70BRD4CREBBP
SCHEMBL1044257 0.88 ZAP70 (0.76) ZAP70TLR9TLR8TLR7
SCHEMBL1048639 0.87 ZAP70 (0.83) ZAP70BRD4CREBBPJAK1
SCHEMBL1048726 0.85 ZAP70 (0.80) ZAP70JAK1
SCHEMBL1047856 0.84 ZAP70 (0.78) ZAP70
SCHEMBL1048000 0.83 ZAP70 (0.86) ZAP70BRD4CREBBPJAK1
SCHEMBL1049413 0.83 ZAP70 (0.85) ZAP70BRD4CREBBPJAK1
SCHEMBL1044350 0.79 ZAP70 (0.79) ZAP70BRD4CREBBPJAK1

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
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-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

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.