SCHEMBL1048064

SCHEMBL1048064

O=C(O)C1CCCN(CCc2ccc(Nc3nc(-c4cncnc4)cc4cc[nH]c(=O)c34)cc2)C1.O=c1[nH]ccc2cc(-c3cncnc3)nc(Nc3cnn(C4CCNCC4)c3)c12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 15/20 0.49
JAK2 O60674 2/20 0.33
SYK P43405 2/20 0.33
MYLK4 Q86YV6 1/20 0.33
STK17A Q9UEE5 1/20 0.33
JAK3 P52333 1/20 0.33
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32

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
SCHEMBL1049338 0.90 ZAP70 (0.58) ZAP70JAK2SYKSPHK2SPHK1
SCHEMBL1047039 0.83 ZAP70 (0.59) ZAP70MYLK4STK17A
SCHEMBL12929905 0.82 ZAP70 (0.51) ZAP70JAK2SYK
SCHEMBL1045010 0.82 ZAP70 (0.62) ZAP70JAK2SYK
SCHEMBL1049679 0.81 ZAP70 (0.53) ZAP70JAK2SYKSPHK2SPHK1
SCHEMBL1048193 0.78 ZAP70 (0.60) ZAP70
SCHEMBL1048051 0.78 ZAP70 (0.65) ZAP70SYKSPHK2SPHK1
SCHEMBL1048654 0.77 ZAP70 (0.61) ZAP70SPHK2SPHK1
SCHEMBL12929910 0.77 ZAP70 (0.59) ZAP70
SCHEMBL1044291 0.75 ZAP70 (0.61) ZAP70SYK

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 2 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 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 4/4885JAK2 63/4885SYK 2/4885

“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.