SCHEMBL4496640

SCHEMBL4496640

CCOc1ccccc1Oc1nc(Nc2cccc(OCCCN3CCN(C)CC3)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.62
JAK3 P52333 2/20 0.62
LCK P06239 1/20 0.62
TNK2 Q07912 1/20 0.62
SRC P12931 6/20 0.48
PDGFRB P09619 2/20 0.48
MET P08581 3/20 0.48
BRD4 O60885 2/20 0.45
EGFR P00533 2/20 0.43
ITK Q08881 1/20 0.43
SIK1 P57059 1/20 0.43
SIK2 Q9H0K1 1/20 0.43
SIK3 Q9Y2K2 1/20 0.43
EPHX2 P34913 1/20 0.42
AIMP2 Q13155 1/20 0.42
JAK2 O60674 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL4497647 0.94 LCK (0.62) BTKJAK3LCKTNK2MET
SCHEMBL4480780 0.90 LCK (0.61) BTKJAK3LCKTNK2SRC
SCHEMBL4501630 0.90 JAK3 (0.68) BTKJAK3LCKTNK2SRC
SCHEMBL5686203 0.89 LCK (0.56) BTKJAK3LCKTNK2MET
SCHEMBL4503811 0.88 LCK (0.59) BTKJAK3LCKTNK2SRC
SCHEMBL4506744 0.88 LCK (0.48) BTKJAK3LCKTNK2SRC
SCHEMBL4496650 0.88 LCK (0.54) BTKJAK3LCKTNK2MET
SCHEMBL4508592 0.87 LCK (0.56) BTKJAK3LCKTNK2SRC
SCHEMBL4489811 0.86 LCK (0.56) BTKJAK3LCKTNK2SRC
SCHEMBL4506260 0.86 LCK (0.69) BTKJAK3LCKTNK2SRC

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 BTK 1420/4885JAK3 900/4885LCK 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.