SCHEMBL6459028

SCHEMBL6459028

NCCN(CCN)CCNC(=O)Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.62
SRC P12931 8/20 0.62
TEK Q02763 6/20 0.59
KDR P35968 5/20 0.51
BTK Q06187 8/20 0.51
HCK P08631 7/20 0.49
FLT3 P36888 5/20 0.49
FYN P06241 2/20 0.47
LYN P07948 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
RGS12 O14924 1/20 0.47
NPC1 O15118 1/20 0.47
GMNN O75496 1/20 0.47
ALDH1A1 P00352 1/20 0.47
EGFR P00533 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL7853877 0.92 SRC (0.68) LCKSRCTEKKDRBTK
SCHEMBL6459567 0.92 LCK (0.59) LCKSRCTEKKDRBTK
SCHEMBL6457819 0.90 LCK (0.61) LCKSRCTEKKDRBTK
SCHEMBL6462888 0.89 SRC (0.70) LCKSRCTEKKDRBTK
SCHEMBL6465342 0.87 LCK (0.67) LCKSRCTEKKDRBTK
SCHEMBL6462024 0.87 LCK (0.60) LCKSRCTEKKDRBTK
SCHEMBL6458737 0.86 LCK (0.62) LCKSRCTEKKDRBTK
SCHEMBL6466133 0.85 LCK (0.62) LCKSRCTEKKDRBTK
SCHEMBL27555099 0.84 LCK (0.64) LCKSRCTEKKDRBTK
SCHEMBL6458223 0.84 LCK (0.64) LCKSRCTEKKDRBTK

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
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.