SCHEMBL4497457

SCHEMBL4497457

COc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3C)c(Oc3ccc(F)cc3)n2)cc(OC)c1OCCCN1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.52
KDR P35968 10/20 0.52
SRC P12931 9/20 0.52
MAPK14 Q16539 7/20 0.52
BTK Q06187 3/20 0.52
JAK3 P52333 3/20 0.52
TEK Q02763 2/20 0.52
JAK2 O60674 1/20 0.52
MET P08581 1/20 0.52
FGFR1 P11362 1/20 0.52
ZAP70 P43403 1/20 0.52
SYK P43405 1/20 0.52
TNK2 Q07912 1/20 0.47
TBK1 Q9UHD2 1/20 0.46
EGFR P00533 3/20 0.43
TTK P33981 1/20 0.43
SIK1 P57059 2/20 0.42
SIK2 Q9H0K1 2/20 0.42
SIK3 Q9Y2K2 2/20 0.42
DAPK1 P53355 1/20 0.41

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
SCHEMBL4498991 0.94 LCK (0.52) LCKKDRSRCMAPK14BTK
SCHEMBL4487782 0.92 LCK (0.51) LCKKDRSRCMAPK14BTK
SCHEMBL4485430 0.92 LCK (0.54) LCKKDRSRCMAPK14BTK
SCHEMBL4489134 0.90 LCK (0.61) LCKKDRSRCMAPK14BTK
SCHEMBL4496708 0.89 LCK (0.51) LCKKDRSRCMAPK14BTK
SCHEMBL4505938 0.89 LCK (0.49) LCKKDRSRCMAPK14BTK
SCHEMBL4499530 0.88 LCK (0.52) LCKKDRSRCMAPK14BTK
SCHEMBL4506463 0.88 LCK (0.52) LCKKDRSRCMAPK14BTK
SCHEMBL4497095 0.86 LCK (0.56) LCKKDRSRCMAPK14BTK
SCHEMBL4504080 0.86 LCK (0.48) LCKKDRSRCMAPK14BTK

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-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US claimed
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 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 (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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 LCK 33/4885KDR 3785/4885SRC 2472/4885

“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.