SCHEMBL4499488

SCHEMBL4499488

CCN(CC)CCN(C)C(=O)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3C)c(Oc3ccc(CC(=O)N4CCOCC4)cc3Cl)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.48
BTK Q06187 3/20 0.48
LCK P06239 2/20 0.48
TNK2 Q07912 1/20 0.48
EGFR P00533 4/20 0.47
PTK2 Q05397 2/20 0.45
LRRK2 Q5S007 2/20 0.41
ALK Q9UM73 1/20 0.38
IGF1R P08069 1/20 0.38
KCNH2 Q12809 1/20 0.38
SRC P12931 1/20 0.38
BRD4 O60885 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
NTRK1 P04629 1/20 0.38

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
SCHEMBL4495169 0.95 LCK (0.47) JAK3BTKLCKTNK2EGFR
SCHEMBL4498534 0.94 LCK (0.49) JAK3BTKLCKTNK2EGFR
SCHEMBL4507626 0.88 LCK (0.47) JAK3BTKLCKTNK2EGFR
SCHEMBL4496633 0.86 LCK (0.48) JAK3BTKLCKTNK2PTK2
SCHEMBL4498862 0.86 LCK (0.47) JAK3BTKLCKTNK2EGFR
SCHEMBL4504029 0.85 LCK (0.46) JAK3BTKLCKTNK2SRC
SCHEMBL4487145 0.84 LCK (0.45) JAK3BTKLCKTNK2SRC
SCHEMBL5686297 0.83 LCK (0.45) JAK3BTKLCKTNK2PTK2
SCHEMBL4499131 0.82 LCK (0.44) JAK3BTKLCKTNK2PTK2
SCHEMBL4488109 0.81 LCK (0.47) JAK3BTKLCKTNK2

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

“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.