SCHEMBL4498711

SCHEMBL4498711

COc1cc(-c2ccc(C(F)(F)F)cc2)ccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.47
KDR P35968 2/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
ULK1 O75385 3/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
ULK2 Q8IYT8 1/20 0.45
BTK Q06187 2/20 0.45
PTK2 Q05397 2/20 0.45
LCK P06239 2/20 0.45
JAK3 P52333 1/20 0.45
TNK2 Q07912 1/20 0.45
PDE4B Q07343 3/20 0.44
EGFR P00533 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
MAPK14 Q16539 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL4485125 0.91 ULK1 (0.47) KDRAURKAAURKBULK1PRKAA2
SCHEMBL4499876 0.90 ULK1 (0.47) ULK1PRKAA2PRKAA1ULK2BTK
SCHEMBL4492474 0.88 ULK1 (0.46) ULK1PRKAA2PRKAA1ULK2BTK
SCHEMBL4496367 0.88 ULK1 (0.49) PLK1KDRULK1PRKAA2PRKAA1
SCHEMBL4496241 0.88 PRKCA (0.51) ULK1PRKAA2PRKAA1ULK2BTK
SCHEMBL4503872 0.87 ULK1 (0.49) KDRULK1PRKAA2PRKAA1ULK2
SCHEMBL4497347 0.87 ULK1 (0.46) KDRULK1PRKAA2PRKAA1ULK2
SCHEMBL4490938 0.85 CYP2C9 (0.49) ULK1PRKAA2PRKAA1ULK2BTK
SCHEMBL4565004 0.85 ULK1 (0.58) PLK1KDRAURKBULK1PRKAA2
SCHEMBL4501964 0.85 BTK (0.46) PLK1ULK1PRKAA2PRKAA1ULK2

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 PLK1 2403/4885KDR 3785/4885AURKA 1234/4885

“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.