SCHEMBL4500587

SCHEMBL4500587

COc1ccccc1Oc1nc(Nc2ccccc2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.61
JAK3 P52333 1/20 0.61
BTK Q06187 1/20 0.61
TNK2 Q07912 1/20 0.61
ITK Q08881 3/20 0.51
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
PTK2 Q05397 1/20 0.45
ULK1 O75385 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
ULK2 Q8IYT8 1/20 0.45
KCNK3 O14649 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 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
SCHEMBL4565004 0.90 ULK1 (0.58) LCKJAK3BTKTNK2ITK
SCHEMBL4486334 0.86 LCK (0.71) LCKJAK3BTKTNK2
SCHEMBL5686350 0.85 LCK (0.55) LCKJAK3BTKTNK2PTK2
SCHEMBL4491666 0.84 BTK (0.65) LCKJAK3BTKTNK2ITK
SCHEMBL4495705 0.84 LCK (0.68) LCKJAK3BTKTNK2
SCHEMBL5689113 0.83 CCNT1 (0.53) LCKJAK3BTKTNK2PTK2
SCHEMBL4497792 0.83 ULK1 (0.54) LCKJAK3BTKTNK2ITK
SCHEMBL5688959 0.83 LCK (0.71) LCKJAK3BTKTNK2
SCHEMBL4501181 0.83 LCK (0.55) LCKJAK3BTKTNK2ITK
SCHEMBL4506989 0.82 LCK (0.58) LCKJAK3BTKTNK2EGFR

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.