SCHEMBL1047039

SCHEMBL1047039

O=c1[nH]ccc2cc(-c3cncnc3)nc(Nc3cnn(C4CCNCC4)c3)c12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.59
PTK2 Q05397 1/20 0.42
MAP4K1 Q92918 1/20 0.40
MYLK4 Q86YV6 2/20 0.40
STK17A Q9UEE5 2/20 0.40
NUAK1 O60285 4/20 0.39
AURKB Q96GD4 1/20 0.39
AURKC Q9UQB9 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NUAK2 Q9H093 1/20 0.39

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
SCHEMBL1048193 0.91 ZAP70 (0.60) ZAP70
SCHEMBL1050495 0.90 ZAP70 (0.47) ZAP70PTK2MAP4K1MYLK4STK17A
SCHEMBL1046976 0.87 ZAP70 (0.47) ZAP70PTK2MAP4K1NUAK1AURKB
SCHEMBL1049200 0.87 ZAP70 (0.61) ZAP70
SCHEMBL12929910 0.86 ZAP70 (0.59) ZAP70
SCHEMBL1047095 0.86 ZAP70 (0.55) ZAP70
SCHEMBL1043452 0.84 ZAP70 (0.57) ZAP70
SCHEMBL1050428 0.83 ZAP70 (0.56) ZAP70
SCHEMBL1048671 0.83 ZAP70 (0.66) ZAP70
SCHEMBL1048064 0.83 ZAP70 (0.49) ZAP70MYLK4STK17A

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 8 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
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 54/4885MAP4K1 254/4885

“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.