SCHEMBL4490532

SCHEMBL4490532

CCN(CC)C(=O)c1ccc(Oc2nc(Nc3ccc(N4CCN(CCCN(C)C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2C)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.54
LCK P06239 3/20 0.54
BTK Q06187 2/20 0.54
TNK2 Q07912 2/20 0.54
SRC P12931 9/20 0.47
HCK P08631 1/20 0.44
FGFR1 P11362 1/20 0.44
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
MAPK14 Q16539 1/20 0.42
MAP3K7 O43318 1/20 0.41
MAP2K1 Q02750 1/20 0.41
EGFR P00533 2/20 0.40
BRD4 O60885 1/20 0.40
JAK2 O60674 1/20 0.40
BLK P51451 1/20 0.40
BMX P51813 1/20 0.40
MT-CO2 P00403 1/20 0.40

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
SCHEMBL4490885 0.96 LCK (0.55) JAK3LCKBTKTNK2SRC
SCHEMBL4505399 0.93 LCK (0.55) JAK3LCKBTKTNK2SRC
SCHEMBL6306385 0.93 LCK (0.56) JAK3LCKBTKTNK2SRC
SCHEMBL4507650 0.91 JAK3 (0.59) JAK3LCKBTKTNK2SRC
SCHEMBL4496885 0.91 LCK (0.56) JAK3LCKBTKTNK2SRC
SCHEMBL4489980 0.90 LCK (0.54) JAK3LCKBTKTNK2SRC
SCHEMBL4499009 0.89 LCK (0.55) JAK3LCKBTKTNK2SRC
SCHEMBL4483265 0.89 LCK (0.57) JAK3LCKBTKTNK2SRC
SCHEMBL4485171 0.89 LCK (0.53) JAK3LCKBTKTNK2SRC
SCHEMBL4509205 0.88 LCK (0.57) JAK3LCKBTKTNK2SRC

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 JAK3 900/4885LCK 33/4885BTK 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.