SCHEMBL4500830

SCHEMBL4500830

CCN(CC)C(=O)c1ccc(Oc2nc(Nc3cccc(OCCCN4CCCCC4)c3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

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
MET P08581 8/20 0.43
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
MAPK14 Q16539 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
IGF1R P08069 1/20 0.41
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
AURKA O14965 1/20 0.40
EGFR P00533 2/20 0.40
CNR2 P34972 1/20 0.40
MCHR1 Q99705 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
SCHEMBL4500749 0.93 JAK3 (0.46) LCKJAK3BTKTNK2MET
SCHEMBL4493003 0.91 LCK (0.49) LCKJAK3BTKTNK2MET
SCHEMBL4489728 0.91 LCK (0.47) LCKJAK3BTKTNK2MET
SCHEMBL4491263 0.90 LCK (0.47) LCKJAK3BTKTNK2MET
SCHEMBL5686360 0.90 LCK (0.47) LCKJAK3BTKTNK2MET
SCHEMBL4500871 0.90 LCK (0.47) LCKJAK3BTKTNK2MET
SCHEMBL4496650 0.90 LCK (0.54) LCKJAK3BTKTNK2MET
SCHEMBL4507560 0.89 LCK (0.46) LCKJAK3BTKTNK2MET
SCHEMBL4491249 0.89 ITK (0.47) LCKJAK3BTKTNK2MET
SCHEMBL4492554 0.88 LCK (0.48) LCKJAK3BTKTNK2MET

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US claimed
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 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.