SCHEMBL4491122

SCHEMBL4491122

CCN(CC)C(=O)Cc1ccc(Oc2nc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2C)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.57
JAK3 P52333 2/20 0.57
TNK2 Q07912 2/20 0.57
BTK Q06187 1/20 0.57
SRC P12931 8/20 0.47
HCK P08631 1/20 0.44
FGFR1 P11362 1/20 0.44
MAP3K7 O43318 2/20 0.43
MAP2K1 Q02750 2/20 0.43
MT-CO2 P00403 1/20 0.41
EGFR P00533 2/20 0.41
BRD4 O60885 1/20 0.41
JAK2 O60674 1/20 0.41
BLK P51451 1/20 0.41
BMX P51813 1/20 0.41
MAPK1 P28482 1/20 0.40
FLT3 P36888 1/20 0.40
WEE1 P30291 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4498483 0.93 JAK3 (0.59) LCKJAK3TNK2BTKSRC
SCHEMBL5689097 0.91 LCK (0.57) LCKJAK3TNK2BTKSRC
SCHEMBL4484959 0.90 LCK (0.55) LCKJAK3TNK2BTKSRC
SCHEMBL4509205 0.90 LCK (0.57) LCKJAK3TNK2BTKSRC
SCHEMBL4508406 0.89 LCK (0.59) LCKJAK3TNK2BTKSRC
SCHEMBL4489980 0.88 LCK (0.54) LCKJAK3TNK2BTKSRC
SCHEMBL4496883 0.87 LCK (0.59) LCKJAK3TNK2BTKSRC
SCHEMBL4495035 0.87 LCK (0.56) LCKJAK3TNK2BTKSRC
SCHEMBL4500680 0.87 LCK (0.58) LCKJAK3TNK2BTKSRC
SCHEMBL4496676 0.86 LCK (0.59) LCKJAK3TNK2BTKSRC

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 900/4885TNK2 1854/4885

“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.