SCHEMBL4498976

SCHEMBL4498976

CCN(CC)C(=O)/C=C/c1ccc(Oc2nc(Nc3cc(OC)c(OC)c(OC)c3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.47
LCK P06239 1/20 0.47
JAK3 P52333 1/20 0.47
TNK2 Q07912 1/20 0.47
APP P05067 3/20 0.44
BCHE P06276 3/20 0.44
MAOA P21397 3/20 0.44
ACHE P22303 3/20 0.44
MAOB P27338 3/20 0.44
ULK1 O75385 3/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
ULK2 Q8IYT8 1/20 0.42
EGFR P00533 1/20 0.41
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4498984 1.00 BTK (0.47) BTKLCKJAK3TNK2APP
SCHEMBL4504729 0.86 LCK (0.59) BTKLCKJAK3TNK2
SCHEMBL4504734 0.86 LCK (0.59) BTKLCKJAK3TNK2
SCHEMBL4496116 0.84 LCK (0.57) BTKLCKJAK3TNK2
SCHEMBL4496113 0.84 LCK (0.57) BTKLCKJAK3TNK2
SCHEMBL4489943 0.83 SIK1 (0.54) BTKLCKJAK3TNK2EGFR
SCHEMBL4489948 0.83 SIK1 (0.54) BTKLCKJAK3TNK2EGFR
SCHEMBL4480970 0.83 LCK (0.57) BTKLCKJAK3TNK2
SCHEMBL4480965 0.83 LCK (0.57) BTKLCKJAK3TNK2
SCHEMBL4497924 0.82 LCK (0.47) BTKLCKJAK3TNK2APP

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 BTK 1420/4885LCK 33/4885JAK3 900/4885

“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.