SCHEMBL4489141

SCHEMBL4489141

COc1cc(CCC(=O)NC(C)C)ccc1Oc1nc(Nc2cc(OC)c(OC)c(OCCCN3CCN(C)CC3)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.43
LCK P06239 9/20 0.42
JAK3 P52333 4/20 0.42
BTK Q06187 4/20 0.42
TNK2 Q07912 1/20 0.42
SRC P12931 8/20 0.42
KDR P35968 7/20 0.42
MAPK14 Q16539 4/20 0.42
JAK2 O60674 1/20 0.41
MET P08581 1/20 0.41
FGFR1 P11362 1/20 0.41
ZAP70 P43403 1/20 0.41
SYK P43405 1/20 0.41
TEK Q02763 1/20 0.41
PTK2 Q05397 7/20 0.40

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
SCHEMBL4499100 0.95 LCK (0.42) TBK1LCKJAK3BTKTNK2
SCHEMBL4484671 0.91 PTK2 (0.43) TBK1LCKJAK3BTKTNK2
SCHEMBL5686501 0.91 LCK (0.43) TBK1LCKJAK3BTKTNK2
SCHEMBL4501597 0.91 LCK (0.46) LCKJAK3BTKTNK2SRC
SCHEMBL4497970 0.91 LCK (0.46) TBK1LCKJAK3BTKTNK2
SCHEMBL4490581 0.90 TBK1 (0.46) TBK1LCKJAK3BTKTNK2
SCHEMBL4494229 0.90 TBK1 (0.42) TBK1LCKJAK3BTKTNK2
SCHEMBL4499815 0.90 LCK (0.45) TBK1LCKJAK3BTKTNK2
SCHEMBL4495261 0.88 JAK3 (0.43) TBK1LCKJAK3BTKTNK2
SCHEMBL4495225 0.88 LCK (0.47) TBK1LCKJAK3BTKTNK2

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
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US 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 TBK1 3444/4885LCK 33/4885JAK3 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.