SCHEMBL4497858

SCHEMBL4497858

COc1ccccc1Oc1nc(Nc2ccc(OCC3CCCN(C)C3)c(F)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.52
LCK P06239 3/20 0.52
BTK Q06187 2/20 0.52
TNK2 Q07912 1/20 0.52
SIK1 P57059 2/20 0.48
SIK2 Q9H0K1 2/20 0.48
SIK3 Q9Y2K2 2/20 0.48
PTK2 Q05397 7/20 0.42
EGFR P00533 2/20 0.42
MAP4K1 Q92918 1/20 0.41
SCN9A Q15858 1/20 0.41
TTK P33981 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
KDR P35968 2/20 0.40
MAPK14 Q16539 2/20 0.40
ITK Q08881 1/20 0.40
TEK Q02763 1/20 0.40

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
SCHEMBL4496641 0.95 LCK (0.59) JAK3LCKBTKTNK2SIK1
SCHEMBL4488307 0.94 LCK (0.49) JAK3LCKBTKTNK2SIK1
SCHEMBL5686673 0.94 TNK2 (0.53) JAK3LCKBTKTNK2SIK1
SCHEMBL4481299 0.92 SIK1 (0.47) JAK3LCKBTKTNK2SIK1
SCHEMBL4498424 0.92 LCK (0.47) JAK3LCKBTKTNK2SIK1
SCHEMBL4488969 0.91 PTK2 (0.49) JAK3LCKBTKTNK2SIK1
SCHEMBL4502168 0.91 SIK1 (0.46) JAK3LCKBTKTNK2SIK1
SCHEMBL5689639 0.91 SIK1 (0.48) JAK3LCKBTKTNK2SIK1
SCHEMBL4507188 0.90 SIK1 (0.45) JAK3LCKBTKTNK2SIK1
SCHEMBL5686351 0.90 SIK1 (0.45) JAK3LCKBTKTNK2SIK1

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 900/4885LCK 33/4885BTK 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.