SCHEMBL4484725

SCHEMBL4484725

CCN(CC)C(=O)c1ccc(Oc2nc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)ncc2C(=O)Nc2c(Cl)cccc2Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.44
JAK3 P52333 6/20 0.43
BTK Q06187 6/20 0.43
KDR P35968 6/20 0.42
SRC P12931 2/20 0.42
LCK P06239 2/20 0.42
MAPK14 Q16539 1/20 0.42
MET P08581 3/20 0.40
FGFR1 P11362 1/20 0.40
EGFR P00533 1/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
MST1R Q04912 1/20 0.39
CSF1R P07333 2/20 0.39
INSR P06213 1/20 0.39
AXL P30530 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
SCHEMBL4506311 0.95 TNK2 (0.47) TNK2JAK3BTKKDRSRC
SCHEMBL4503009 0.95 JAK3 (0.45) TNK2JAK3BTKKDRSRC
SCHEMBL4496212 0.95 JAK3 (0.40) TNK2JAK3BTKKDRSRC
SCHEMBL4490193 0.94 KDR (0.45) TNK2JAK3BTKKDRSRC
SCHEMBL5686187 0.94 JAK3 (0.40) TNK2JAK3BTKKDRSRC
SCHEMBL4496807 0.93 TNK2 (0.42) TNK2JAK3BTKKDRSRC
SCHEMBL5689464 0.93 TNK2 (0.42) TNK2JAK3BTKKDRSRC
SCHEMBL4496514 0.93 JAK3 (0.42) TNK2JAK3BTKKDRSRC
SCHEMBL4500176 0.92 MET (0.42) TNK2JAK3BTKKDRSRC
SCHEMBL4501586 0.90 JAK3 (0.40) TNK2JAK3BTKKDRSRC

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 1854/4885JAK3 900/4885BTK 1420/4885

“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.