SCHEMBL4503012

SCHEMBL4503012

COc1ccccc1Oc1nc(Nc2ccc(N3CCN(C(C)C)CC3)cc2)ncc1C(=O)Nc1c(Cl)cccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.57
JAK3 P52333 1/20 0.57
BTK Q06187 1/20 0.57
TNK2 Q07912 1/20 0.57
MAP3K7 O43318 3/20 0.50
MAP2K1 Q02750 3/20 0.50
SRC P12931 7/20 0.49
FGFR1 P11362 2/20 0.49
HCK P08631 1/20 0.49
MAPK1 P28482 2/20 0.49
WEE1 P30291 2/20 0.49
FLT3 P36888 1/20 0.49
KCNH2 Q12809 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CDK2 P24941 1/20 0.49
MT-CO2 P00403 1/20 0.49
MAPK14 Q16539 2/20 0.48
KDR P35968 1/20 0.48

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
SCHEMBL4495705 0.92 LCK (0.68) LCKJAK3BTKTNK2MAP3K7
SCHEMBL4499760 0.91 MAP3K7 (0.60) LCKJAK3BTKTNK2MAP3K7
SCHEMBL4500180 0.91 LCK (0.53) LCKJAK3BTKTNK2MAP3K7
SCHEMBL4499699 0.89 CSF1R (0.56) LCKJAK3BTKTNK2SRC
SCHEMBL4484606 0.89 LCK (0.65) LCKJAK3BTKTNK2MAP3K7
SCHEMBL5689506 0.88 LCK (0.60) LCKJAK3BTKTNK2MAP3K7
SCHEMBL4498259 0.87 LCK (0.62) LCKJAK3BTKTNK2MAP3K7
SCHEMBL4499406 0.86 LCK (0.60) LCKJAK3BTKTNK2SRC
SCHEMBL4492323 0.86 LCK (0.63) LCKJAK3BTKTNK2MAP3K7
SCHEMBL4481579 0.86 LCK (0.59) LCKJAK3BTKTNK2SRC

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.