SCHEMBL2384430

SCHEMBL2384430

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)cc1-c1nc2c(C#N)cccc2o1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.32
AAK1 Q2M2I8 2/20 0.32
SLC22A12 Q96S37 2/20 0.31
TOP2A P11388 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
AGPAT2 O15120 1/20 0.31
CEPT1 Q9Y6K0 1/20 0.30

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
SCHEMBL2388506 0.86 BACE1 (0.36) BACE1TOP2AGPR119AGPAT2
SCHEMBL2387946 0.84 USP30 (0.35) BACE1AAK1
SCHEMBL2384700 0.82 MAPT (0.41) BACE1AGPAT2
SCHEMBL404176 0.76 AAK1 (0.41) BACE1AAK1GPR119
SCHEMBL2641058 0.75 NPC1 (0.40) BACE1
SCHEMBL2386539 0.75 MAPT (0.38) BACE1
SCHEMBL2385969 0.74 MET (0.39)
SCHEMBL2640799 0.72 NPC1 (0.38) BACE1
SCHEMBL2386246 0.71 BACE1 (0.41) BACE1AAK1
SCHEMBL28790962 0.70 TOP2A (0.31) TOP2AAGPAT2

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-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 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-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 BACE1 4467/4885AAK1 1487/4885SLC22A12 3658/4885

“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.