SCHEMBL4498355

SCHEMBL4498355

CCN(CC)C(=O)c1ccc(Oc2nc(Nc3ccc(OCCCN4CCN(C)CC4)c(F)c3)ncc2C(=O)Nc2ccccc2F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.43
JAK3 P52333 2/20 0.43
EGFR P00533 3/20 0.42
MET P08581 4/20 0.41
LCK P06239 4/20 0.41
KDR P35968 3/20 0.41
SRC P12931 2/20 0.41
MAPK14 Q16539 2/20 0.41
CSF1R P07333 2/20 0.41
AXL P30530 1/20 0.41
MAP3K7 O43318 1/20 0.41
MAP2K1 Q02750 1/20 0.41
FLT3 P36888 1/20 0.40
TEK Q02763 1/20 0.40
BRD4 O60885 1/20 0.40
JAK1 P23458 1/20 0.40
INSR P06213 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALK Q9UM73 1/20 0.39

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
SCHEMBL4496514 0.95 JAK3 (0.42) BTKJAK3EGFRMETLCK
SCHEMBL4493926 0.93 CSF1R (0.41) BTKJAK3EGFRMETLCK
SCHEMBL4503009 0.93 JAK3 (0.45) BTKJAK3EGFRMETLCK
SCHEMBL4493796 0.92 JAK3 (0.43) BTKJAK3EGFRMETLCK
SCHEMBL4503818 0.92 LCK (0.43) BTKJAK3EGFRMETLCK
SCHEMBL4496586 0.91 SRC (0.46) BTKJAK3METLCKKDR
SCHEMBL4505021 0.91 CSF1R (0.42) BTKJAK3EGFRMETLCK
SCHEMBL5686051 0.91 CSF1R (0.42) BTKJAK3EGFRMETLCK
SCHEMBL4483915 0.90 LCK (0.42) BTKJAK3EGFRMETLCK
SCHEMBL5686186 0.90 SRC (0.42) BTKJAK3EGFRMETLCK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US 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 900/4885EGFR 2918/4885

“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.