SCHEMBL1046646

SCHEMBL1046646

COc1cc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C)c(OCCN4CCCC4)c3)n2)cnc1N

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 12/20 0.46
MCHR1 Q99705 2/20 0.39
MAP3K11 Q16584 2/20 0.38
IDH1 O75874 2/20 0.37
SYK P43405 1/20 0.37
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37

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
SCHEMBL1049061 0.91 ZAP70 (0.49) ZAP70
SCHEMBL1079019 0.87 ZAP70 (0.48) ZAP70SYKKDR
SCHEMBL1046443 0.87 ZAP70 (0.46) ZAP70SYK
SCHEMBL1044252 0.86 ZAP70 (0.57) ZAP70SYK
SCHEMBL1043379 0.85 ZAP70 (0.51) ZAP70SYK
SCHEMBL1047832 0.84 ZAP70 (0.51) ZAP70SYK
SCHEMBL1048975 0.84 ZAP70 (0.45) ZAP70SYK
SCHEMBL1045703 0.84 ZAP70 (0.48) ZAP70SYKKDR
SCHEMBL1045429 0.84 ZAP70 (0.51) ZAP70MCHR1SYK
SCHEMBL1049119 0.83 ZAP70 (0.46) ZAP70SYKEPHA2KDREPHB4

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
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
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 4/4885MCHR1 1411/4885MAP3K11 222/4885

“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.