SCHEMBL4489780

SCHEMBL4489780

CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.61
JAK3 P52333 3/20 0.61
BTK Q06187 3/20 0.61
TNK2 Q07912 1/20 0.61
MAPK14 Q16539 4/20 0.61
EGFR P00533 5/20 0.61
JAK2 O60674 2/20 0.61
BLK P51451 1/20 0.61
BMX P51813 1/20 0.61
SRC P12931 6/20 0.59
HCK P08631 1/20 0.54
FGFR1 P11362 1/20 0.54
KDR P35968 4/20 0.53
BRD4 O60885 2/20 0.53
KCNH2 Q12809 2/20 0.52
ABCB11 O95342 1/20 0.52
ESR1 P03372 1/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52

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
SCHEMBL4497796 0.93 LCK (0.60) LCKJAK3BTKTNK2MAPK14
SCHEMBL4508850 0.93 LCK (0.61) LCKJAK3BTKTNK2MAPK14
SCHEMBL5686131 0.92 LCK (0.61) LCKJAK3BTKTNK2MAPK14
SCHEMBL4497418 0.92 LCK (0.59) LCKJAK3BTKTNK2MAPK14
SCHEMBL4487350 0.90 LCK (0.66) LCKJAK3BTKTNK2MAPK14
SCHEMBL4493518 0.90 LCK (0.60) LCKJAK3BTKTNK2MAPK14
SCHEMBL4486997 0.90 LCK (0.60) LCKJAK3BTKTNK2MAPK14
SCHEMBL4488353 0.89 LCK (0.63) LCKJAK3BTKTNK2MAPK14
SCHEMBL4509122 0.89 SIK1 (0.65) LCKJAK3BTKTNK2MAPK14
SCHEMBL4496757 0.89 LCK (0.65) LCKJAK3BTKTNK2MAPK14

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 33/4885JAK3 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.