SCHEMBL4497935

SCHEMBL4497935

Cc1cccc(C)c1NC(=O)c1cnc(Nc2cccc(OCCCN3CCCCC3)c2)nc1Oc1ccc(C(=O)N2CCCC2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.45
JAK3 P52333 4/20 0.45
LCK P06239 1/20 0.45
TNK2 Q07912 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
MET P08581 8/20 0.44
EGFR P00533 2/20 0.41
LRRK2 Q5S007 1/20 0.41
NTRK1 P04629 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL4507894 0.94 NTRK1 (0.43) BTKJAK3LCKTNK2HRH3
SCHEMBL4488361 0.91 TNK2 (0.48) BTKJAK3LCKTNK2MET
SCHEMBL4500749 0.91 JAK3 (0.46) BTKJAK3LCKTNK2HRH3
SCHEMBL4493793 0.87 SIK1 (0.45) BTKJAK3LCKTNK2MET
SCHEMBL4484580 0.86 EGFR (0.51) BTKJAK3LCKTNK2MET
SCHEMBL4493115 0.86 TNK2 (0.46) BTKJAK3LCKTNK2MET
SCHEMBL4496650 0.86 LCK (0.54) BTKJAK3LCKTNK2MET
SCHEMBL4488652 0.85 TBK1 (0.44) BTKJAK3LCKTNK2MET
SCHEMBL4497647 0.85 LCK (0.62) BTKJAK3LCKTNK2MET
SCHEMBL5686203 0.84 LCK (0.56) BTKJAK3LCKTNK2MET

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 BTK 1420/4885JAK3 900/4885LCK 33/4885

“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.