SCHEMBL4501210

SCHEMBL4501210

COc1cc(OCC(=O)N2CCCC2)ccc1Oc1nc(Nc2cc(OC)c(OC)c(OCCCN3CCN(C)CC3)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.47
LCK P06239 11/20 0.46
SRC P12931 11/20 0.46
KDR P35968 10/20 0.46
MAPK14 Q16539 6/20 0.46
MET P08581 3/20 0.46
JAK3 P52333 2/20 0.46
BTK Q06187 2/20 0.46
SYK P43405 2/20 0.46
JAK2 O60674 1/20 0.46
FGFR1 P11362 1/20 0.46
ZAP70 P43403 1/20 0.46
TEK Q02763 1/20 0.46
TNK2 Q07912 1/20 0.43
TTK P33981 2/20 0.40
PTK2 Q05397 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4486094 0.95 KMT2A (0.46) TBK1LCKSRCKDRMAPK14
SCHEMBL4510853 0.91 LCK (0.51) LCKSRCKDRMAPK14MET
SCHEMBL4497446 0.90 TBK1 (0.45) TBK1LCKSRCKDRMAPK14
SCHEMBL4495901 0.88 MET (0.47) LCKSRCKDRMAPK14MET
SCHEMBL4506463 0.88 LCK (0.52) TBK1LCKSRCKDRMAPK14
SCHEMBL4496978 0.87 LCK (0.52) LCKSRCKDRMAPK14MET
SCHEMBL4488050 0.87 TBK1 (0.43) TBK1LCKSRCKDRMAPK14
SCHEMBL4490581 0.86 TBK1 (0.46) TBK1LCKSRCKDRMAPK14
SCHEMBL4509428 0.86 LCK (0.50) LCKSRCKDRMAPK14MET
SCHEMBL4497970 0.86 LCK (0.46) TBK1LCKSRCKDRMAPK14

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 TBK1 3444/4885LCK 33/4885SRC 2472/4885

“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.