SCHEMBL4495044

SCHEMBL4495044

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(OCC3CCCN(C)C3)c(F)c2)nc1Oc1ccc(C(=O)NC2CCCC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIK1 P57059 2/20 0.47
SIK2 Q9H0K1 2/20 0.47
SIK3 Q9Y2K2 2/20 0.47
PTK2 Q05397 10/20 0.45
BRD4 O60885 2/20 0.43
LCK P06239 1/20 0.42
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
TNK2 Q07912 1/20 0.42
SCN9A Q15858 1/20 0.42
TTK P33981 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
NTRK1 P04629 1/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 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
SCHEMBL4488969 0.94 PTK2 (0.49) SIK1SIK2SIK3PTK2BRD4
SCHEMBL4492623 0.91 SIK1 (0.44) SIK1SIK2SIK3PTK2LCK
SCHEMBL5689639 0.90 SIK1 (0.48) SIK1SIK2SIK3PTK2BRD4
SCHEMBL4499721 0.90 SIK1 (0.43) SIK1SIK2SIK3PTK2LCK
SCHEMBL4499606 0.89 LRRK2 (0.43) SIK1SIK2SIK3LCKJAK3
SCHEMBL4490736 0.88 SIK1 (0.49) SIK1SIK2SIK3PTK2BRD4
SCHEMBL5689749 0.88 SIK1 (0.43) SIK1SIK2SIK3LCKJAK3
SCHEMBL4495370 0.88 SIK1 (0.43) SIK1SIK2SIK3LCKJAK3
SCHEMBL4480180 0.87 TNK2 (0.48) SIK1SIK2SIK3PTK2LCK
SCHEMBL4481299 0.87 SIK1 (0.47) SIK1SIK2SIK3PTK2LCK

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 SIK1 1588/4885SIK2 1559/4885SIK3 2322/4885

“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.