SCHEMBL4489088

SCHEMBL4489088

CCOc1ccccc1Oc1nc(Nc2ccc(N3CCN(C)CC3)c(OC(F)F)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.63
BTK Q06187 2/20 0.63
LCK P06239 2/20 0.63
JAK3 P52333 1/20 0.63
SIK1 P57059 2/20 0.52
SIK2 Q9H0K1 2/20 0.52
SIK3 Q9Y2K2 2/20 0.52
SRC P12931 7/20 0.48
PAK1 Q13153 3/20 0.45
EGFR P00533 1/20 0.43
CSF1R P07333 1/20 0.43
PKMYT1 Q99640 1/20 0.42
HCK P08631 1/20 0.42
FGFR1 P11362 1/20 0.42
MAP3K7 O43318 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP2K1 Q02750 1/20 0.42
FLT3 P36888 1/20 0.42
KDR P35968 1/20 0.42
MAPK14 Q16539 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
SCHEMBL4487640 0.92 LCK (0.66) TNK2BTKLCKJAK3SIK1
SCHEMBL4490125 0.90 JAK3 (0.66) TNK2BTKLCKJAK3SIK1
SCHEMBL4497579 0.89 JAK3 (0.67) TNK2BTKLCKJAK3SIK1
SCHEMBL4506989 0.86 LCK (0.58) TNK2BTKLCKJAK3SIK1
SCHEMBL4504109 0.85 LCK (0.84) TNK2BTKLCKJAK3SRC
SCHEMBL4487850 0.85 LCK (0.54) TNK2BTKLCKJAK3SIK1
SCHEMBL4488901 0.85 LCK (0.71) TNK2BTKLCKJAK3SIK1
SCHEMBL4494799 0.85 SIK1 (0.47) TNK2BTKLCKJAK3SIK1
SCHEMBL4491335 0.85 SIK1 (0.62) TNK2BTKLCKJAK3SIK1
SCHEMBL4493388 0.84 LCK (0.56) TNK2BTKLCKJAK3SIK1

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 5 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
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US 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 1420/4885LCK 33/4885

“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.