SCHEMBL4494359

SCHEMBL4494359

CCN(CC)CCCOc1ccc(Nc2ncc(C(=O)Nc3c(Cl)cccc3Cl)c(Oc3ccccc3)n2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
ITK Q08881 4/20 0.43
KDR P35968 3/20 0.42
EGFR P00533 8/20 0.42
FGFR1 P11362 2/20 0.42
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
SRC P12931 1/20 0.42
BRAF P15056 1/20 0.42
EPHB4 P54760 1/20 0.42
TEK Q02763 1/20 0.42
LCK P06239 4/20 0.42
BTK Q06187 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
JAK3 P52333 1/20 0.40
TNK2 Q07912 1/20 0.40
SYK P43405 1/20 0.40
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39

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
SCHEMBL4499114 0.92 BTK (0.48) SLC2A1ITKKDREGFRLCK
SCHEMBL4493427 0.85 CSF1R (0.47) KDREGFRSRCLCKBTK
SCHEMBL4496919 0.84 TNK2 (0.47) KDREGFRKITSRCLCK
SCHEMBL4494514 0.79 CSF1R (0.46) KDREGFRSRCLCKBTK
SCHEMBL4490254 0.79 KDR (0.50) ITKKDREGFRSRCLCK
SCHEMBL4507458 0.78 TNK2 (0.46) KDREGFRKITSRCLCK
SCHEMBL4490187 0.78 JAK3 (0.52) KDREGFRSRCLCKBTK
SCHEMBL4492657 0.78 JAK3 (0.52) KDREGFRKITSRCLCK
SCHEMBL4498558 0.78 CSF1R (0.53) KDREGFRPDGFRBKITSRC
SCHEMBL4502918 0.78 TNK2 (0.49) KDREGFRKITSRCLCK

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 SLC2A1 527/4885ITK 3373/4885KDR 3785/4885

“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.