SCHEMBL4484580

SCHEMBL4484580

Cc1cccc(C)c1NC(=O)c1cnc(Nc2cccc(OCCCN3CCCCC3)c2)nc1Oc1ccc(CC(=O)N2CCOCC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.51
BTK Q06187 6/20 0.46
JAK3 P52333 6/20 0.46
LCK P06239 1/20 0.46
TNK2 Q07912 1/20 0.46
EPHX2 P34913 5/20 0.44
ITK Q08881 1/20 0.44
SYK P43405 2/20 0.44
PTK2 Q05397 1/20 0.43
MET P08581 1/20 0.42

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
SCHEMBL4507173 0.93 BTK (0.47) EGFRBTKJAK3LCKTNK2
SCHEMBL4484340 0.92 TNK2 (0.47) EGFRBTKJAK3LCKTNK2
SCHEMBL4484235 0.88 TNK2 (0.49) EGFRBTKJAK3LCKTNK2
SCHEMBL4496243 0.88 BTK (0.44) EGFRBTKJAK3LCKTNK2
SCHEMBL4492077 0.87 BTK (0.46) EGFRBTKJAK3LCKTNK2
SCHEMBL4497935 0.86 BTK (0.45) EGFRBTKJAK3LCKTNK2
SCHEMBL4499601 0.85 TNK2 (0.48) BTKJAK3LCKTNK2MET
SCHEMBL4489820 0.85 JAK3 (0.45) EGFRBTKJAK3LCKTNK2
SCHEMBL4504252 0.84 TNK2 (0.45) BTKJAK3LCKTNK2MET
SCHEMBL4500749 0.83 JAK3 (0.46) EGFRBTKJAK3LCKTNK2

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 EGFR 2918/4885BTK 1420/4885JAK3 900/4885

“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.