SCHEMBL4507271

SCHEMBL4507271

CCOc1ccccc1Oc1nc(Nc2ccc(OCCCN3CCN(C(C)C)CC3)c(OC)c2)ncc1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.59
JAK3 P52333 5/20 0.59
BTK Q06187 5/20 0.59
TNK2 Q07912 1/20 0.59
KDR P35968 7/20 0.45
SRC P12931 4/20 0.45
MAPK14 Q16539 2/20 0.44
IGF1R P08069 1/20 0.43
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MET P08581 1/20 0.39
ITK Q08881 1/20 0.39
EHMT2 Q96KQ7 1/20 0.38
EHMT1 Q9H9B1 1/20 0.38
EGFR P00533 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4495909 0.92 LCK (0.49) LCKJAK3BTKTNK2KDR
SCHEMBL4508592 0.90 LCK (0.56) LCKJAK3BTKTNK2KDR
SCHEMBL4495159 0.90 LCK (0.59) LCKJAK3BTKTNK2KDR
SCHEMBL4480972 0.90 JAK3 (0.59) LCKJAK3BTKTNK2KDR
SCHEMBL4505329 0.87 LCK (0.51) LCKJAK3BTKTNK2KDR
SCHEMBL4503811 0.87 LCK (0.59) LCKJAK3BTKTNK2KDR
SCHEMBL4493822 0.87 LCK (0.60) LCKJAK3BTKTNK2KDR
SCHEMBL4501652 0.86 LCK (0.57) LCKJAK3BTKTNK2KDR
SCHEMBL4480780 0.86 LCK (0.61) LCKJAK3BTKTNK2KDR
SCHEMBL4503292 0.86 LCK (0.52) LCKJAK3BTKTNK2KDR

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 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.