SCHEMBL4499601

SCHEMBL4499601

COc1cc(CC(=O)N2CCOCC2)ccc1Oc1nc(Nc2ccc(OCCCN3CCCCC3)c(F)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.48
BTK Q06187 6/20 0.47
JAK3 P52333 5/20 0.47
LCK P06239 3/20 0.46
SRC P12931 1/20 0.46
KDR P35968 1/20 0.46
MAPK14 Q16539 1/20 0.46
LRRK2 Q5S007 1/20 0.45
FLT3 P36888 2/20 0.44
MET P08581 9/20 0.44
STK10 O94804 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
FLT1 P17948 1/20 0.42
AXL P30530 1/20 0.42
TIE1 P35590 1/20 0.42
FLT4 P35916 1/20 0.42
TEK Q02763 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
SCHEMBL4494134 0.94 BTK (0.46) TNK2BTKJAK3LCKSRC
SCHEMBL4484340 0.94 TNK2 (0.47) TNK2BTKJAK3LCKSRC
SCHEMBL4507173 0.92 BTK (0.47) TNK2BTKJAK3LCKKDR
SCHEMBL4504458 0.91 LCK (0.50) TNK2BTKJAK3LCKSRC
SCHEMBL4498842 0.91 BTK (0.48) TNK2BTKJAK3LCKSRC
SCHEMBL4499829 0.90 BTK (0.44) TNK2BTKJAK3LCKKDR
SCHEMBL4500225 0.90 TNK2 (0.48) TNK2BTKJAK3LCKSRC
SCHEMBL4484235 0.90 TNK2 (0.49) TNK2BTKJAK3LCKSRC
SCHEMBL4484065 0.90 JAK3 (0.46) TNK2BTKJAK3LCKSRC
SCHEMBL4487131 0.89 BTK (0.51) TNK2BTKJAK3LCKSRC

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 TNK2 1854/4885BTK 1420/4885JAK3 900/4885

“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.