SCHEMBL4480643

SCHEMBL4480643

COc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3C)c(Oc3cccc4c3OC(C)(C)C4)n2)cc(OCCCN2CCN(C)CC2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.45
LCK P06239 9/20 0.44
SRC P12931 8/20 0.44
KDR P35968 7/20 0.44
JAK3 P52333 5/20 0.44
BTK Q06187 5/20 0.44
MAPK14 Q16539 4/20 0.44
JAK2 O60674 1/20 0.44
MET P08581 1/20 0.44
FGFR1 P11362 1/20 0.44
ZAP70 P43403 1/20 0.44
SYK P43405 1/20 0.44
TEK Q02763 1/20 0.44
TNK2 Q07912 1/20 0.44
ULK1 O75385 2/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
ULK2 Q8IYT8 1/20 0.39
PTK2 Q05397 1/20 0.39
BRD4 O60885 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
SCHEMBL4504080 0.96 LCK (0.48) TBK1LCKSRCKDRJAK3
SCHEMBL4506463 0.90 LCK (0.52) TBK1LCKSRCKDRJAK3
SCHEMBL4490661 0.88 SIK1 (0.47) LCKSRCKDRJAK3BTK
SCHEMBL4503811 0.87 LCK (0.59) TBK1LCKSRCKDRJAK3
SCHEMBL5686167 0.87 LCK (0.53) TBK1LCKSRCKDRJAK3
SCHEMBL4499811 0.86 LCK (0.49) TBK1LCKSRCKDRJAK3
SCHEMBL4485430 0.85 LCK (0.54) TBK1LCKSRCKDRJAK3
SCHEMBL4492970 0.85 SIK1 (0.51) LCKSRCKDRJAK3BTK
SCHEMBL4504900 0.84 TBK1 (0.48) TBK1LCKSRCKDRJAK3
SCHEMBL4497488 0.84 TNK2 (0.48) LCKSRCKDRJAK3BTK

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 TBK1 3444/4885LCK 33/4885SRC 2472/4885

“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.