SCHEMBL4494027

SCHEMBL4494027

CCOc1cc(C(=O)N(CC)CC)ccc1Oc1nc(Nc2cc(OC)c(OC)c(OCCCN3CCN(C)CC3)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.48
JAK3 P52333 5/20 0.48
BTK Q06187 4/20 0.48
TNK2 Q07912 1/20 0.48
TBK1 Q9UHD2 1/20 0.44
KDR P35968 11/20 0.43
SRC P12931 8/20 0.43
MAPK14 Q16539 5/20 0.43
TEK Q02763 2/20 0.43
JAK2 O60674 1/20 0.43
MET P08581 1/20 0.43
FGFR1 P11362 1/20 0.43
ZAP70 P43403 1/20 0.43
SYK P43405 1/20 0.43
PTK2 Q05397 1/20 0.38
EGFR P00533 3/20 0.37
BRD4 O60885 1/20 0.37
ULK1 O75385 1/20 0.37

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
SCHEMBL4495245 0.97 LCK (0.45) LCKJAK3BTKTNK2TBK1
SCHEMBL4495381 0.93 TBK1 (0.44) LCKJAK3BTKTNK2TBK1
SCHEMBL4503811 0.90 LCK (0.59) LCKJAK3BTKTNK2TBK1
SCHEMBL4492809 0.89 SRC (0.46) LCKJAK3BTKTNK2TBK1
SCHEMBL4501383 0.89 LCK (0.46) LCKJAK3BTKTNK2TBK1
SCHEMBL4499815 0.88 LCK (0.45) LCKJAK3BTKTNK2TBK1
SCHEMBL4497319 0.88 LCK (0.49) LCKJAK3BTKTNK2KDR
SCHEMBL4506463 0.87 LCK (0.52) LCKJAK3BTKTNK2TBK1
SCHEMBL5686155 0.87 PTK2 (0.46) LCKJAK3BTKTNK2TBK1
SCHEMBL4490581 0.87 TBK1 (0.46) LCKJAK3BTKTNK2TBK1

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 33/4885JAK3 900/4885BTK 1420/4885

“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.