SCHEMBL4490125

SCHEMBL4490125

CCOc1ccccc1Oc1nc(Nc2ccc(N3CCN(C)CC3)c(F)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.66
BTK Q06187 3/20 0.66
LCK P06239 2/20 0.66
TNK2 Q07912 1/20 0.66
SIK1 P57059 2/20 0.63
SIK2 Q9H0K1 2/20 0.63
SIK3 Q9Y2K2 2/20 0.63
FLT3 P36888 1/20 0.52
BRD4 O60885 4/20 0.51
JAK1 P23458 4/20 0.51
SRC P12931 5/20 0.50
AXL P30530 2/20 0.49
BRDT Q58F21 1/20 0.47
EGFR P00533 2/20 0.46
JAK2 O60674 2/20 0.45
LRRK2 Q5S007 1/20 0.45
KDR P35968 1/20 0.45
MAPK14 Q16539 1/20 0.45
PTK2 Q05397 1/20 0.45

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
SCHEMBL4491335 0.94 SIK1 (0.62) JAK3BTKLCKTNK2SIK1
SCHEMBL4492491 0.93 SIK1 (0.63) JAK3BTKLCKTNK2SIK1
SCHEMBL4496852 0.93 SIK1 (0.65) JAK3BTKLCKTNK2SIK1
SCHEMBL4496380 0.93 SIK1 (0.69) JAK3BTKLCKTNK2SIK1
SCHEMBL4490448 0.92 SIK1 (0.61) JAK3BTKLCKTNK2SIK1
SCHEMBL4497579 0.92 JAK3 (0.67) JAK3BTKLCKTNK2SIK1
SCHEMBL4507935 0.92 SIK1 (0.64) JAK3BTKLCKTNK2SIK1
SCHEMBL4487640 0.91 LCK (0.66) JAK3BTKLCKTNK2SIK1
SCHEMBL4497460 0.91 BTK (0.62) JAK3BTKLCKTNK2SIK1
SCHEMBL4500635 0.91 SIK1 (0.63) JAK3BTKLCKTNK2SIK1

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 JAK3 900/4885BTK 1420/4885LCK 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.