SCHEMBL4484052

SCHEMBL4484052

CCN(CC)CCCCNc1ncc(C(=O)Nc2c(C)cccc2C)c(Oc2cccc(NC(C)=O)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.45
JAK3 P52333 2/20 0.44
AXL P30530 1/20 0.44
FLT3 P36888 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 1/20 0.44
ITK Q08881 4/20 0.42
LCK P06239 4/20 0.42
BTK Q06187 1/20 0.42
TNK2 Q07912 1/20 0.42
FGFR1 P11362 5/20 0.42
EGFR P00533 3/20 0.42
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SRC P12931 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR4 P22455 2/20 0.39
FGFR3 P22607 2/20 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
SCHEMBL4491071 0.85 LCK (0.56) JAK3AXLFLT3TYRO3MERTK
SCHEMBL4496296 0.84 LCK (0.39) JAK3AXLFLT3TYRO3MERTK
SCHEMBL4480855 0.79 LCK (0.43) JAK3FLT3TYRO3MERTKGAS6
SCHEMBL4488306 0.79 APP (0.43) JAK3LCKBTKTNK2FGFR1
SCHEMBL4497365 0.78 LCK (0.41) JAK3LCKBTKTNK2FGFR1
SCHEMBL4499114 0.74 BTK (0.48) JAK3ITKLCKBTKTNK2
SCHEMBL4496631 0.74 LCK (0.41) JAK3AXLTYRO3MERTKLCK
SCHEMBL5686131 0.73 LCK (0.61) JAK3LCKBTKTNK2FGFR1
SCHEMBL4489780 0.73 LCK (0.61) JAK3LCKBTKTNK2FGFR1
SCHEMBL4500505 0.72 LCK (0.47) JAK3ITKLCKBTKTNK2

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 RAD52 825/4885JAK3 900/4885AXL 2557/4885

“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.