SCHEMBL4490736

SCHEMBL4490736

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(OCCCN3CCN(C)CC3)c(F)c2)nc1Oc1ccc(C(=O)NC2CCCC2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIK1 P57059 2/20 0.49
SIK2 Q9H0K1 2/20 0.49
SIK3 Q9Y2K2 2/20 0.49
AXL P30530 1/20 0.45
PTK2 Q05397 5/20 0.44
TNK2 Q07912 3/20 0.44
LCK P06239 4/20 0.43
SRC P12931 2/20 0.43
KDR P35968 2/20 0.43
MAPK14 Q16539 1/20 0.43
JAK3 P52333 2/20 0.42
BTK Q06187 2/20 0.42
NTRK1 P04629 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
AURKA O14965 2/20 0.42
AURKB Q96GD4 2/20 0.42
TTK P33981 1/20 0.42
BRD4 O60885 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
SCHEMBL4480180 0.96 TNK2 (0.48) SIK1SIK2SIK3AXLPTK2
SCHEMBL4497902 0.93 AXL (0.51) SIK1SIK2SIK3AXLPTK2
SCHEMBL4496582 0.92 SIK1 (0.46) SIK1SIK2SIK3TNK2LCK
SCHEMBL4487717 0.91 SIK1 (0.44) SIK1SIK2SIK3PTK2TNK2
SCHEMBL4487526 0.90 LCK (0.47) SIK1SIK2SIK3PTK2TNK2
SCHEMBL5686972 0.90 LCK (0.45) SIK1SIK2SIK3TNK2LCK
SCHEMBL4493793 0.90 SIK1 (0.45) SIK1SIK2SIK3AXLTNK2
SCHEMBL4497538 0.89 PTK2 (0.47) PTK2LCKTTKBRD4
SCHEMBL4497267 0.89 AXL (0.51) SIK1SIK2SIK3AXLPTK2
SCHEMBL4506876 0.89 SIK1 (0.48) SIK1SIK2SIK3AXLTNK2

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.