SCHEMBL1049016

SCHEMBL1049016

COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OCCN4CCOCC4)cc3)n2)c(OC)n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.51
SYK P43405 5/20 0.47
JAK2 O60674 3/20 0.47
AURKA O14965 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL1049037 0.93 ZAP70 (0.49) ZAP70SYKJAK2
SCHEMBL1044274 0.87 ZAP70 (0.66) ZAP70JAK2
SCHEMBL12928932 0.86 ZAP70 (0.54) ZAP70SYKJAK2
SCHEMBL1045462 0.86 ZAP70 (0.49) ZAP70SYKJAK2
SCHEMBL1048983 0.84 ZAP70 (0.45) ZAP70SYKJAK2
SCHEMBL1048209 0.84 ZAP70 (0.46) ZAP70
SCHEMBL1049849 0.84 ZAP70 (0.68) ZAP70SYKJAK2
SCHEMBL1047747 0.84 ZAP70 (0.68) ZAP70SYKJAK2
SCHEMBL1047250 0.83 ZAP70 (0.58) ZAP70
SCHEMBL1046940 0.83 ZAP70 (0.56) ZAP70SYKJAK2

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 9 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
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
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 4/4885SYK 2/4885JAK2 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.