SCHEMBL4497408

SCHEMBL4497408

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(OCCN3CCN(C(C)C)CC3)c(F)c2)nc1Oc1ccc(CC(=O)N2CCOCC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
BTK Q06187 7/20 0.43
JAK3 P52333 7/20 0.43
TNK2 Q07912 3/20 0.43
LCK P06239 3/20 0.43
PTK2 Q05397 1/20 0.42
SYK P43405 1/20 0.40
KDR P35968 2/20 0.40
MET P08581 2/20 0.40
ALK Q9UM73 1/20 0.40
LRRK2 Q5S007 2/20 0.39
SRC P12931 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
SCHEMBL4496954 0.95 TNK2 (0.44) EGFRBTKJAK3TNK2LCK
SCHEMBL4499829 0.94 BTK (0.44) EGFRBTKJAK3TNK2LCK
SCHEMBL5686220 0.94 BTK (0.46) EGFRBTKJAK3TNK2LCK
SCHEMBL4481283 0.91 BTK (0.42) BTKJAK3TNK2LCKSYK
SCHEMBL4484340 0.90 TNK2 (0.47) EGFRBTKJAK3TNK2LCK
SCHEMBL5686202 0.89 TNK2 (0.46) EGFRBTKJAK3TNK2LCK
SCHEMBL4487079 0.88 BTK (0.42) BTKJAK3TNK2LCKSYK
SCHEMBL4488342 0.87 NTRK1 (0.45) BTKJAK3TNK2LCKKDR
SCHEMBL4504252 0.87 TNK2 (0.45) BTKJAK3TNK2LCKKDR
SCHEMBL4496675 0.86 BTK (0.46) EGFRBTKJAK3TNK2LCK

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.