SCHEMBL4501630

SCHEMBL4501630

CCOc1ccccc1Oc1nc(Nc2ccc(OCCN3CCN(C)CC3)cc2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.68
LCK P06239 2/20 0.68
BTK Q06187 1/20 0.68
TNK2 Q07912 1/20 0.68
EGFR P00533 2/20 0.51
SRC P12931 9/20 0.46
BRD4 O60885 3/20 0.46
JAK1 P23458 3/20 0.46
HDAC1 Q13547 3/20 0.46
JAK2 O60674 2/20 0.46
RET P07949 1/20 0.46
TYK2 P29597 1/20 0.46
FLT3 P36888 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDR P35968 1/20 0.45
MAPK14 Q16539 1/20 0.45
YES1 P07947 1/20 0.45
MAP3K7 O43318 2/20 0.43
MAP2K1 Q02750 2/20 0.43

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
SCHEMBL4506260 0.90 LCK (0.69) JAK3LCKBTKTNK2SRC
SCHEMBL4496640 0.90 BTK (0.62) JAK3LCKBTKTNK2EGFR
SCHEMBL4489145 0.88 LCK (0.61) JAK3LCKBTKTNK2EGFR
SCHEMBL4504109 0.88 LCK (0.84) JAK3LCKBTKTNK2SRC
SCHEMBL4486459 0.87 LCK (0.78) JAK3LCKBTKTNK2SRC
SCHEMBL4495966 0.87 LCK (0.59) JAK3LCKBTKTNK2EGFR
SCHEMBL4501652 0.86 LCK (0.57) JAK3LCKBTKTNK2EGFR
SCHEMBL4480780 0.86 LCK (0.61) JAK3LCKBTKTNK2SRC
SCHEMBL5689444 0.86 LCK (0.81) JAK3LCKBTKTNK2SRC
SCHEMBL4488901 0.85 LCK (0.71) JAK3LCKBTKTNK2EGFR

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 JAK3 900/4885LCK 33/4885BTK 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.