SCHEMBL1048853

SCHEMBL1048853

O=c1[nH]ccc2cc(-c3ccc(N4CCNCC4)cc3)nc(Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.82
SYK P43405 3/20 0.49
JAK2 O60674 2/20 0.47
MYLK4 Q86YV6 1/20 0.46
STK17A Q9UEE5 1/20 0.46
MAPKAPK5 Q8IW41 1/20 0.45
BTK Q06187 1/20 0.45

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
SCHEMBL1044814 0.90 ZAP70 (0.82) ZAP70SYKJAK2BTK
SCHEMBL1044800 0.90 ZAP70 (0.82) ZAP70SYKJAK2BTK
SCHEMBL1044792 0.90 ZAP70 (1.00) ZAP70SYKJAK2
SCHEMBL1047754 0.88 ZAP70 (0.78) ZAP70SYKJAK2BTK
SCHEMBL1046458 0.86 ZAP70 (0.79) ZAP70SYKJAK2
SCHEMBL1048900 0.86 ZAP70 (0.75) ZAP70SYKJAK2
SCHEMBL1048456 0.86 ZAP70 (0.75) ZAP70SYKJAK2MAPKAPK5BTK
SCHEMBL1048609 0.86 ZAP70 (0.75) ZAP70SYKJAK2MAPKAPK5BTK
SCHEMBL1158498 0.85 ZAP70 (0.70) ZAP70SYKJAK2MAPKAPK5
SCHEMBL1046499 0.85 ZAP70 (0.82) 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
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 4/4885SYK 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.