SCHEMBL4500405

SCHEMBL4500405

CCOc1ccccc1Oc1nc(Nc2ccc(OC[C@@H]3CCCN3)c(F)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.60
JAK3 P52333 1/20 0.60
BTK Q06187 1/20 0.60
TNK2 Q07912 1/20 0.60
SIK1 P57059 2/20 0.42
SIK2 Q9H0K1 2/20 0.42
SIK3 Q9Y2K2 2/20 0.42
ITK Q08881 4/20 0.41
EGFR P00533 4/20 0.41
SYK P43405 3/20 0.38
KCNH2 Q12809 3/20 0.38
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
AURKB Q96GD4 1/20 0.38
PTK2 Q05397 2/20 0.37
ULK1 O75385 1/20 0.37
MAPT P10636 1/20 0.36
MET P08581 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
SCHEMBL4494221 1.00 LCK (0.60) LCKJAK3BTKTNK2SIK1
SCHEMBL4486167 0.93 LCK (0.61) LCKJAK3BTKTNK2SIK1
SCHEMBL4496896 0.88 LCK (0.47) LCKJAK3BTKTNK2SIK1
SCHEMBL4496641 0.85 LCK (0.59) LCKJAK3BTKTNK2SIK1
SCHEMBL4498951 0.84 TNK2 (0.60) LCKJAK3BTKTNK2SIK1
SCHEMBL4489739 0.84 LCK (0.51) LCKJAK3BTKTNK2SIK1
SCHEMBL4495790 0.83 LCK (0.57) LCKJAK3BTKTNK2ITK
SCHEMBL4490829 0.83 TNK2 (0.63) LCKJAK3BTKTNK2SIK1
SCHEMBL4497146 0.82 TNK2 (0.70) LCKJAK3BTKTNK2SIK1
SCHEMBL4504163 0.82 LCK (0.52) LCKJAK3BTKTNK2SIK1

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.