SCHEMBL1048822

SCHEMBL1048822

CC(C)(C)OC(=O)NCCc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)cs1.NCCc1nc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)cs1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 16/20 0.55
AKT1 P31749 1/20 0.38
BRD4 O60885 1/20 0.38
JAK1 P23458 2/20 0.36
JAK2 O60674 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
SCHEMBL1049017 0.97 ZAP70 (0.54) ZAP70AKT1BRD4JAK1JAK2
SCHEMBL3390899 0.90 ZAP70 (0.60) ZAP70JAK2
SCHEMBL1048533 0.88 ZAP70 (0.69) ZAP70JAK2
SCHEMBL13753099 0.85 ZAP70 (0.54) ZAP70JAK2
SCHEMBL1046622 0.83 ZAP70 (0.67) ZAP70JAK2
SCHEMBL27806093 0.79 ZAP70 (0.60) ZAP70JAK2
SCHEMBL1048405 0.79 ZAP70 (0.63) ZAP70JAK2
SCHEMBL1046645 0.78 ZAP70 (0.70) ZAP70JAK2
SCHEMBL1049742 0.77 ZAP70 (0.69) ZAP70JAK2
SCHEMBL1049197 0.76 ZAP70 (0.60) ZAP70

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 4/4885AKT1 126/4885BRD4 2595/4885

“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.