SCHEMBL1049539

SCHEMBL1049539

Cn1ccc2cc(-c3cnc(N)nc3)nc(Nc3cccc(OCCN4CCOCC4)c3)c2c1=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.59
SYK P43405 7/20 0.48
SRC P12931 1/20 0.46
EGFR P00533 2/20 0.46
BTK Q06187 1/20 0.46
AIMP2 Q13155 1/20 0.45
MAPK14 Q16539 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
ITK Q08881 1/20 0.42
PIK3CA P42336 1/20 0.41
BCHE P06276 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
MAOB P27338 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
CACNA2D1 P54289 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL1046814 0.92 ZAP70 (0.61) ZAP70SYKSRCEGFRMAPK14
SCHEMBL1046820 0.88 ZAP70 (0.53) ZAP70SYKSRCMAPK14ADORA2A
SCHEMBL1047322 0.86 ZAP70 (0.51) ZAP70SYKSRCEGFRPIK3CA
SCHEMBL1045575 0.86 ZAP70 (0.52) ZAP70SYKSRCEGFRBTK
SCHEMBL1048116 0.84 ZAP70 (0.63) ZAP70SYK
SCHEMBL1048516 0.83 ZAP70 (0.72) ZAP70SYKPIK3CA
SCHEMBL1049335 0.83 ZAP70 (0.68) ZAP70SYKEGFRPIK3CA
SCHEMBL1158025 0.82 ZAP70 (0.58) ZAP70SYK
SCHEMBL1077531 0.82 ZAP70 (0.53) ZAP70SRCEGFRBTKPIK3CA
SCHEMBL1046724 0.81 ZAP70 (0.68) ZAP70SYKPIK3CA

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 6 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-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 4/4885SYK 2/4885SRC 31/4885

“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.