SCHEMBL4497792

SCHEMBL4497792

COc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3C)c(Oc3ccc(Oc4ccccc4)cc3)n2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.54
PRKAA2 P54646 1/20 0.52
PRKAA1 Q13131 1/20 0.52
ULK2 Q8IYT8 1/20 0.52
BTK Q06187 2/20 0.52
EGFR P00533 1/20 0.52
KDR P35968 2/20 0.51
ITK Q08881 2/20 0.50
LCK P06239 2/20 0.49
JAK3 P52333 1/20 0.49
TNK2 Q07912 1/20 0.49
TEK Q02763 1/20 0.48
PLK1 P53350 1/20 0.48
PTK2 Q05397 7/20 0.45
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR4 P22455 1/20 0.45
FGFR3 P22607 1/20 0.45

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
SCHEMBL4509298 0.92 ULK1 (0.48) ULK1PRKAA2PRKAA1ULK2BTK
SCHEMBL4565004 0.91 ULK1 (0.58) ULK1PRKAA2PRKAA1ULK2BTK
SCHEMBL4491666 0.87 BTK (0.65) ULK1PRKAA2PRKAA1ULK2BTK
SCHEMBL4485125 0.86 ULK1 (0.47) ULK1PRKAA2PRKAA1ULK2BTK
SCHEMBL4496367 0.86 ULK1 (0.49) ULK1PRKAA2PRKAA1ULK2BTK
SCHEMBL4504807 0.85 ULK1 (0.54) ULK1PRKAA2PRKAA1ULK2BTK
SCHEMBL4484554 0.85 ULK1 (0.48) ULK1PRKAA2PRKAA1ULK2BTK
SCHEMBL4503872 0.85 ULK1 (0.49) ULK1PRKAA2PRKAA1ULK2BTK
SCHEMBL4497338 0.85 ULK1 (0.50) ULK1PRKAA2PRKAA1ULK2BTK
SCHEMBL4484051 0.84 LCK (0.52) BTKEGFRKDRITKLCK

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 ULK1 1992/4885PRKAA2 2940/4885PRKAA1 2243/4885

“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.