SCHEMBL1048209

SCHEMBL1048209

COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OCCN4CCCC4)c(C)c3)n2)c(OC)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 12/20 0.46
MAP3K7 O43318 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MCHR1 Q99705 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDR P35968 2/20 0.37
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
KDM4E B2RXH2 1/20 0.36
EPHA2 P29317 1/20 0.36
EPHB4 P54760 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
SCHEMBL1049037 0.90 ZAP70 (0.49) ZAP70
SCHEMBL1045882 0.87 ZAP70 (0.45) ZAP70MAP3K7IRAK4MCHR1SMN1; SMN2
SCHEMBL1045721 0.86 ZAP70 (0.48) ZAP70MAP3K7IRAK4KDREGFR
SCHEMBL1045429 0.86 ZAP70 (0.51) ZAP70MAP3K7IRAK4MCHR1SMN1; SMN2
SCHEMBL1043379 0.84 ZAP70 (0.51) ZAP70MAP3K7IRAK4SMN1; SMN2EGFR
SCHEMBL1048631 0.84 ZAP70 (0.59) ZAP70MAP3K7IRAK4SMN1; SMN2
SCHEMBL1049016 0.84 ZAP70 (0.51) ZAP70
SCHEMBL1045703 0.83 ZAP70 (0.48) ZAP70MAP3K7IRAK4SMN1; SMN2KDR
SCHEMBL1079019 0.82 ZAP70 (0.48) ZAP70MAP3K7IRAK4SMN1; SMN2KDR
SCHEMBL1045985 0.82 ZAP70 (0.47) ZAP70KDREGFR

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 4/4885MAP3K7 61/4885IRAK4 170/4885

“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.