SCHEMBL4489722

SCHEMBL4489722

COc1ccccc1Oc1nc(Nc2ccc(OCCCN3CCN(C)CC3)c(F)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.53
KDR P35968 6/20 0.53
SRC P12931 5/20 0.53
MAPK14 Q16539 3/20 0.53
BTK Q06187 3/20 0.53
TNK2 Q07912 3/20 0.53
JAK3 P52333 2/20 0.53
SIK1 P57059 2/20 0.49
SIK2 Q9H0K1 2/20 0.49
SIK3 Q9Y2K2 2/20 0.49
CSF1R P07333 2/20 0.47
MET P08581 6/20 0.46
KIT P10721 2/20 0.45
FLT3 P36888 2/20 0.45
AXL P30530 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT4 P35916 1/20 0.45
ALK Q9UM73 1/20 0.45
EGFR P00533 1/20 0.45

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
SCHEMBL4496682 0.95 LCK (0.54) LCKKDRSRCMAPK14BTK
SCHEMBL4507099 0.94 TNK2 (0.54) LCKKDRSRCMAPK14BTK
SCHEMBL4498890 0.94 LCK (0.52) LCKKDRSRCMAPK14BTK
SCHEMBL4489811 0.94 LCK (0.56) LCKKDRSRCMAPK14BTK
SCHEMBL4480780 0.94 LCK (0.61) LCKKDRSRCMAPK14BTK
SCHEMBL4508592 0.94 LCK (0.56) LCKKDRSRCMAPK14BTK
SCHEMBL4499120 0.93 LCK (0.51) LCKKDRSRCMAPK14BTK
SCHEMBL4493168 0.93 LCK (0.50) LCKKDRSRCMAPK14BTK
SCHEMBL4500515 0.93 LCK (0.51) LCKKDRSRCMAPK14BTK
SCHEMBL4496240 0.93 LCK (0.51) LCKKDRSRCMAPK14BTK

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 LCK 33/4885KDR 3785/4885SRC 2472/4885

“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.