SCHEMBL4495305

SCHEMBL4495305

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(OCCCN3CCN(C)CC3)c(F)c2)nc1Oc1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.49
TNK2 Q07912 3/20 0.49
JAK3 P52333 2/20 0.49
BTK Q06187 2/20 0.49
KDR P35968 4/20 0.47
MAPK14 Q16539 3/20 0.47
TEK Q02763 1/20 0.47
SIK1 P57059 2/20 0.47
SIK2 Q9H0K1 2/20 0.47
SIK3 Q9Y2K2 2/20 0.47
MET P08581 6/20 0.47
SRC P12931 3/20 0.47
ULK1 O75385 1/20 0.44
NTRK1 P04629 1/20 0.43
AXL P30530 2/20 0.42
EGFR P00533 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
SCHEMBL4491639 0.95 TNK2 (0.52) LCKTNK2JAK3BTKKDR
SCHEMBL4498890 0.93 LCK (0.52) LCKTNK2JAK3BTKKDR
SCHEMBL4496240 0.92 LCK (0.51) LCKTNK2JAK3BTKKDR
SCHEMBL4489722 0.91 LCK (0.53) LCKTNK2JAK3BTKKDR
SCHEMBL4484358 0.91 LCK (0.51) LCKTNK2JAK3BTKKDR
SCHEMBL4480780 0.91 LCK (0.61) LCKTNK2JAK3BTKKDR
SCHEMBL4489811 0.91 LCK (0.56) LCKTNK2JAK3BTKKDR
SCHEMBL4502869 0.90 LCK (0.51) LCKTNK2JAK3BTKKDR
SCHEMBL4493168 0.90 LCK (0.50) LCKTNK2JAK3BTKKDR
SCHEMBL4499530 0.90 LCK (0.52) LCKTNK2JAK3BTKKDR

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 LCK 33/4885TNK2 1854/4885JAK3 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.