SCHEMBL4495964

SCHEMBL4495964

CCN(CC)CCN(C)C(=O)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3C)c(Oc3ccc(OCC(=O)N4CCCC4)cc3OC)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.47
JAK3 P52333 3/20 0.47
BTK Q06187 3/20 0.47
TNK2 Q07912 1/20 0.47
TTK P33981 3/20 0.38
MCHR1 Q99705 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 1/20 0.36
CBX7 O95931 1/20 0.36

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
SCHEMBL4498862 0.95 LCK (0.47) LCKJAK3BTKTNK2KMT2A
SCHEMBL4483160 0.91 LCK (0.49) LCKJAK3BTKTNK2TTK
SCHEMBL4498534 0.86 LCK (0.49) LCKJAK3BTKTNK2EGFR
SCHEMBL4502146 0.85 LCK (0.47) LCKJAK3BTKTNK2MCHR1
SCHEMBL4494883 0.85 LCK (0.48) LCKJAK3BTKTNK2MCHR1
SCHEMBL4501181 0.85 LCK (0.55) LCKJAK3BTKTNK2MCHR1
SCHEMBL4495169 0.85 LCK (0.47) LCKJAK3BTKTNK2EGFR
SCHEMBL4507626 0.85 LCK (0.47) LCKJAK3BTKTNK2TTK
SCHEMBL4481544 0.84 LCK (0.46) LCKJAK3BTKTNK2TTK
SCHEMBL4496633 0.84 LCK (0.48) LCKJAK3BTKTNK2

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.