SCHEMBL4497928

SCHEMBL4497928

CCN(CC)C(=O)C=Cc1ccc(Oc2nc(Nc3ccc(N4CCN(C(C)C)CC4)c(Cl)c3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.47
JAK3 P52333 1/20 0.47
BTK Q06187 1/20 0.47
TNK2 Q07912 1/20 0.47
SRC P12931 8/20 0.41
SIK1 P57059 2/20 0.39
SIK2 Q9H0K1 2/20 0.39
SIK3 Q9Y2K2 2/20 0.39
PAK1 Q13153 3/20 0.38
EGFR P00533 1/20 0.37
ALK Q9UM73 1/20 0.37
APP P05067 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
BCHE P06276 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 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
SCHEMBL4497924 1.00 LCK (0.47) LCKJAK3BTKTNK2SRC
SCHEMBL6306303 0.92 LCK (0.47) LCKJAK3BTKTNK2SRC
SCHEMBL4496116 0.92 LCK (0.57) LCKJAK3BTKTNK2SRC
SCHEMBL4496113 0.92 LCK (0.57) LCKJAK3BTKTNK2SRC
SCHEMBL4499505 0.89 LCK (0.55) LCKJAK3BTKTNK2SRC
SCHEMBL4499511 0.89 LCK (0.55) LCKJAK3BTKTNK2SRC
SCHEMBL4489943 0.87 SIK1 (0.54) LCKJAK3BTKTNK2SRC
SCHEMBL4490043 0.87 LCK (0.48) LCKJAK3BTKTNK2SRC
SCHEMBL4489948 0.87 SIK1 (0.54) LCKJAK3BTKTNK2SRC
SCHEMBL4494021 0.85 LCK (0.49) LCKJAK3BTKTNK2SRC

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.