SCHEMBL1045549

SCHEMBL1045549

CNC(=O)c1ccc(Nc2nc(-c3cncc(OC)c3)cc3cc[nH]c(=O)c23)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.66
PTK2 Q05397 2/20 0.41
TYK2 P29597 1/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL1043361 0.91 ZAP70 (0.59) ZAP70PTK2
SCHEMBL1048924 0.90 ZAP70 (0.60) ZAP70PTK2TYK2CLK1DYRK1A
SCHEMBL1048229 0.89 ZAP70 (0.68) ZAP70
SCHEMBL1048541 0.89 ZAP70 (0.61) ZAP70TYK2CLK1DYRK1A
SCHEMBL12928885 0.88 ZAP70 (0.62) ZAP70PTK2TYK2JAK2JAK1
SCHEMBL1044331 0.87 ZAP70 (0.77) ZAP70PTK2TYK2JAK2JAK1
SCHEMBL1049022 0.86 ZAP70 (0.58) ZAP70TYK2JAK2JAK1
SCHEMBL12929757 0.86 ZAP70 (0.60) ZAP70TYK2JAK2JAK1
SCHEMBL1045387 0.85 ZAP70 (0.59) ZAP70PTK2TYK2JAK2JAK1
SCHEMBL1083418 0.83 ZAP70 (0.57) ZAP70TYK2JAK2JAK1

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 12 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
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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP 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 4/4885PTK2 54/4885TYK2 70/4885

“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.