SCHEMBL6463370

SCHEMBL6463370

CCC(CO)(CO)CNC(=O)Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.59
TEK Q02763 8/20 0.59
SRC P12931 5/20 0.59
KDR P35968 7/20 0.58
BTK Q06187 5/20 0.51
HCK P08631 6/20 0.49
FLT3 P36888 5/20 0.49

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
SCHEMBL7851824 0.92 LCK (0.62) LCKTEKSRCKDRBTK
SCHEMBL6464079 0.85 LCK (0.58) LCKTEKSRCKDRBTK
SCHEMBL6462888 0.85 SRC (0.70) LCKTEKSRCKDRBTK
SCHEMBL6462746 0.84 LCK (0.63) LCKTEKSRCKDRBTK
SCHEMBL6465434 0.84 LCK (0.66) LCKTEKSRCKDRBTK
SCHEMBL6458188 0.84 LCK (0.60) LCKTEKSRCKDRBTK
SCHEMBL6466138 0.83 TEK (0.62) LCKTEKSRCKDRBTK
SCHEMBL6466148 0.83 TEK (0.62) LCKTEKSRCKDRBTK
SCHEMBL6466133 0.83 LCK (0.62) LCKTEKSRCKDRBTK
SCHEMBL7851822 0.83 TEK (0.61) LCKTEKSRCKDRHCK

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 3 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-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 1/4885TEK 1465/4885SRC 46/4885
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI LCK 6/4885TEK 22/4885SRC 206/4885

“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.