SCHEMBL1047651

SCHEMBL1047651

O=c1[nH]ccc2cc(-c3cncnc3)nc(Nc3ccc(C4CCN(CC(O)CO)CC4)cc3)c12

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 16/20 0.72
JAK2 O60674 1/20 0.40
SYK P43405 1/20 0.40
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
AKT1 P31749 1/20 0.36
JAK1 P23458 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
SCHEMBL12929914 0.91 ZAP70 (0.61) ZAP70JAK2SYKTLR9TLR8
SCHEMBL1046041 0.89 ZAP70 (0.60) ZAP70JAK2SYKJAK1
SCHEMBL1048950 0.88 ZAP70 (0.57) ZAP70JAK2SYKJAK1
SCHEMBL1158262 0.85 ZAP70 (0.60) ZAP70JAK1
SCHEMBL1047320 0.85 ZAP70 (0.53) ZAP70JAK2SYKTLR9TLR8
SCHEMBL1043307 0.84 ZAP70 (1.00) ZAP70JAK1
SCHEMBL1045674 0.83 ZAP70 (0.82) ZAP70
SCHEMBL1047735 0.83 ZAP70 (0.79) ZAP70JAK2SYKJAK1
SCHEMBL1049512 0.83 ZAP70 (0.81) ZAP70SYKJAK1
SCHEMBL15290716 0.83 ZAP70 (0.59) ZAP70JAK2SYKJAK1

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 7 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-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 4/4885JAK2 63/4885SYK 2/4885

“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.