SCHEMBL4498281

SCHEMBL4498281

CCN(CC)C(=O)COc1ccc(Oc2nc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)ncc2C(=O)Nc2c(C)cccc2C)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.58
JAK3 P52333 2/20 0.58
BTK Q06187 1/20 0.58
TNK2 Q07912 1/20 0.58
NTRK1 P04629 1/20 0.42
LYN P07948 1/20 0.42
SRC P12931 7/20 0.42
KDR P35968 3/20 0.42
MAPK14 Q16539 3/20 0.42
SIK1 P57059 1/20 0.42
MELK Q14680 1/20 0.42
SIK2 Q9H0K1 1/20 0.42
SIK3 Q9Y2K2 1/20 0.42
FGFR1 P11362 2/20 0.41
TEK Q02763 1/20 0.41
BRD4 O60885 1/20 0.41
CSF1R P07333 1/20 0.41
DAPK1 P53355 1/20 0.41
TTK P33981 1/20 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
SCHEMBL4488074 0.93 LCK (0.60) LCKJAK3BTKTNK2SRC
SCHEMBL5689155 0.91 LCK (0.58) LCKJAK3BTKTNK2NTRK1
SCHEMBL4500680 0.90 LCK (0.58) LCKJAK3BTKTNK2NTRK1
SCHEMBL4491459 0.90 LCK (0.56) LCKJAK3BTKTNK2NTRK1
SCHEMBL4495355 0.90 LCK (0.56) LCKJAK3BTKTNK2NTRK1
SCHEMBL4496142 0.89 LCK (0.58) LCKJAK3BTKTNK2NTRK1
SCHEMBL4494013 0.89 LCK (0.55) LCKJAK3BTKTNK2NTRK1
SCHEMBL4495035 0.88 LCK (0.56) LCKJAK3BTKTNK2SRC
SCHEMBL4496116 0.86 LCK (0.57) LCKJAK3BTKTNK2NTRK1
SCHEMBL4496113 0.86 LCK (0.57) LCKJAK3BTKTNK2NTRK1

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 LCK 33/4885JAK3 900/4885BTK 1420/4885

“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.