SCHEMBL4488074

SCHEMBL4488074

CCN(CC)C(=O)COc1ccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.60
JAK3 P52333 2/20 0.60
BTK Q06187 1/20 0.60
TNK2 Q07912 1/20 0.60
KDR P35968 5/20 0.49
MAPK14 Q16539 5/20 0.49
SRC P12931 10/20 0.49
SIK1 P57059 1/20 0.49
MELK Q14680 1/20 0.49
SIK2 Q9H0K1 1/20 0.49
SIK3 Q9Y2K2 1/20 0.49
FGFR1 P11362 3/20 0.48
TEK Q02763 1/20 0.48
BRD4 O60885 3/20 0.48
HCK P08631 1/20 0.46
MAP3K7 O43318 1/20 0.46
MAPK1 P28482 1/20 0.46
MAP2K1 Q02750 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46

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
SCHEMBL5689155 0.94 LCK (0.58) LCKJAK3BTKTNK2KDR
SCHEMBL4498281 0.93 LCK (0.58) LCKJAK3BTKTNK2KDR
SCHEMBL4495355 0.93 LCK (0.56) LCKJAK3BTKTNK2KDR
SCHEMBL4494013 0.92 LCK (0.55) LCKJAK3BTKTNK2KDR
SCHEMBL4498790 0.91 SIK1 (0.55) LCKJAK3BTKTNK2KDR
SCHEMBL4495346 0.90 LCK (0.60) LCKJAK3BTKTNK2KDR
SCHEMBL4490903 0.89 LCK (0.60) LCKJAK3BTKTNK2KDR
SCHEMBL4498163 0.87 LCK (0.58) LCKJAK3BTKTNK2KDR
SCHEMBL4488671 0.86 LCK (0.52) LCKJAK3BTKTNK2KDR
SCHEMBL4504729 0.86 LCK (0.59) LCKJAK3BTKTNK2KDR

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 5 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
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO 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.