SCHEMBL6465712

SCHEMBL6465712

CC(=O)N(CCCN1CCOCC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.51
SRC P12931 9/20 0.51
TEK Q02763 9/20 0.51
HCK P08631 6/20 0.51
BTK Q06187 8/20 0.48
KDR P35968 6/20 0.47
EGFR P00533 4/20 0.47
ITK Q08881 2/20 0.47
FLT3 P36888 4/20 0.46
FYN P06241 2/20 0.46
LYN P07948 2/20 0.46
CSK P41240 2/20 0.46
PLK4 O00444 1/20 0.46
DCLK1 O15075 1/20 0.46
PDPK1 O15530 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
CHEK2 O96017 1/20 0.46
ABL1 P00519 1/20 0.46

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
SCHEMBL6461167 0.95 LCK (0.53) LCKSRCTEKHCKBTK
SCHEMBL6461413 0.93 LCK (0.53) LCKSRCTEKHCKBTK
SCHEMBL6457998 0.92 LCK (0.50) LCKSRCTEKHCKBTK
SCHEMBL6463940 0.92 LCK (0.52) LCKSRCTEKHCKBTK
SCHEMBL6461723 0.88 LCK (0.55) LCKSRCTEKHCKBTK
SCHEMBL6464941 0.88 LCK (0.51) LCKSRCTEKHCKBTK
SCHEMBL6459608 0.87 LCK (0.54) LCKSRCTEKHCKBTK
SCHEMBL6465343 0.87 LCK (0.59) LCKSRCTEKHCKBTK
SCHEMBL6458743 0.85 LCK (0.55) LCKSRCTEKHCKBTK
SCHEMBL6459686 0.85 LCK (0.51) LCKSRCTEKHCKBTK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 US disclosed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 US 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 (2 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN LCK 1/4885SRC 46/4885TEK 1465/4885
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI LCK 6/4885SRC 206/4885TEK 22/4885

“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.