SCHEMBL4499540

SCHEMBL4499540

CCN(CC)C(=O)CCc1cccc(Oc2nc(Nc3ccc(OCC4CCCN(C)C4)c(F)c3)ncc2C(=O)Nc2c(C)cccc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.44
LCK P06239 2/20 0.44
TNK2 Q07912 2/20 0.44
JAK3 P52333 1/20 0.44
SIK1 P57059 2/20 0.43
SIK2 Q9H0K1 2/20 0.43
SIK3 Q9Y2K2 2/20 0.43
ITK Q08881 4/20 0.38
EGFR P00533 3/20 0.37
PTK2 Q05397 3/20 0.37
HRH3 Q9Y5N1 1/20 0.36
SRC P12931 1/20 0.36
TTK P33981 1/20 0.35
AXL P30530 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL4499267 0.94 LCK (0.45) BTKLCKTNK2JAK3SIK1
SCHEMBL4488428 0.88 LCK (0.46) BTKLCKTNK2JAK3SIK1
SCHEMBL4496641 0.87 LCK (0.59) BTKLCKTNK2JAK3SIK1
SCHEMBL4494887 0.87 LCK (0.49) BTKLCKTNK2JAK3SIK1
SCHEMBL4485243 0.86 LCK (0.46) BTKLCKTNK2JAK3SIK1
SCHEMBL4499574 0.86 TNK2 (0.47) BTKLCKTNK2JAK3SIK1
SCHEMBL4498424 0.86 LCK (0.47) BTKLCKTNK2JAK3SIK1
SCHEMBL4507188 0.86 SIK1 (0.45) BTKLCKTNK2JAK3SIK1
SCHEMBL5686284 0.86 LCK (0.46) BTKLCKTNK2JAK3SIK1
SCHEMBL4499721 0.85 SIK1 (0.43) BTKLCKTNK2JAK3SIK1

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 BTK 1420/4885LCK 33/4885TNK2 1854/4885

“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.