SCHEMBL4495500

SCHEMBL4495500

CCOc1ccccc1Oc1nc(Nc2cccc(C(=O)N(C)CCN(CC)CC)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.57
JAK3 P52333 1/20 0.57
BTK Q06187 1/20 0.57
TNK2 Q07912 1/20 0.57
MAPT P10636 2/20 0.41
HDAC6 Q9UBN7 1/20 0.39
IGF1R P08069 2/20 0.38
ITK Q08881 2/20 0.38
GCK P35557 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
BLK P51451 1/20 0.38
MCHR1 Q99705 1/20 0.37
PTK2 Q05397 2/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL4489554 0.93 LCK (0.62) LCKJAK3BTKTNK2MAPT
SCHEMBL4500625 0.87 LCK (0.53) LCKJAK3BTKTNK2MAPT
SCHEMBL4489037 0.87 LCK (0.43) LCKJAK3BTKTNK2MAPT
SCHEMBL5686195 0.87 LCK (0.55) LCKJAK3BTKTNK2HDAC6
SCHEMBL4501181 0.87 LCK (0.55) LCKJAK3BTKTNK2MAPT
SCHEMBL4508576 0.85 LCK (0.58) LCKJAK3BTKTNK2MAPT
SCHEMBL4501973 0.85 LCK (0.53) LCKJAK3BTKTNK2HDAC6
SCHEMBL4493451 0.83 TNK2 (0.66) LCKJAK3BTKTNK2MAPT
SCHEMBL4494883 0.83 LCK (0.48) LCKJAK3BTKTNK2MAPT
SCHEMBL4504029 0.81 LCK (0.46) LCKJAK3BTKTNK2HDAC6

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.