SCHEMBL4492240

SCHEMBL4492240

CCOc1ccccc1Oc1nc(Nc2ccc(N3CCNCC3)c(OC)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.79
TNK2 Q07912 2/20 0.79
LCK P06239 1/20 0.79
BTK Q06187 1/20 0.79
WEE1 P30291 1/20 0.45
PAK1 Q13153 4/20 0.45
BRD4 O60885 3/20 0.44
JAK2 O60674 2/20 0.44
JAK1 P23458 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
SIK1 P57059 2/20 0.44
SIK2 Q9H0K1 2/20 0.44
SIK3 Q9Y2K2 2/20 0.44
FGFR3 P22607 2/20 0.42
KDR P35968 1/20 0.42
PKMYT1 Q99640 1/20 0.42
SRC P12931 1/20 0.42
PDGFRB P09619 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
SCHEMBL4487640 0.92 LCK (0.66) JAK3TNK2LCKBTKPAK1
SCHEMBL4488250 0.89 JAK3 (0.62) JAK3TNK2LCKBTKWEE1
SCHEMBL2022850 0.88 TNK2 (1.00) JAK3TNK2LCKBTKFGFR3
SCHEMBL4506989 0.87 LCK (0.58) JAK3TNK2LCKBTKWEE1
SCHEMBL4493388 0.85 LCK (0.56) JAK3TNK2LCKBTKPAK1
SCHEMBL4506646 0.84 LCK (0.56) JAK3TNK2LCKBTKWEE1
SCHEMBL4497579 0.84 JAK3 (0.67) JAK3TNK2LCKBTKPAK1
SCHEMBL4489088 0.84 TNK2 (0.63) JAK3TNK2LCKBTKPAK1
SCHEMBL4490125 0.83 JAK3 (0.66) JAK3TNK2LCKBTKBRD4
SCHEMBL4491666 0.83 BTK (0.65) JAK3TNK2LCKBTKFGFR3

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 5 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
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US 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 900/4885TNK2 1854/4885LCK 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.