SCHEMBL2387600

SCHEMBL2387600

COc1cccc2nc(-c3cc(B4OC(C)(C)C(C)(C)O4)cnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)oc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.38
USP30 Q70CQ3 2/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
C1R P00736 1/20 0.34
DGAT1 O75907 1/20 0.34
PDGFRB P09619 4/20 0.33
KDR P35968 4/20 0.33
AAK1 Q2M2I8 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
CSF1R P07333 1/20 0.31

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
SCHEMBL2385462 0.87 USP30 (0.39) ALPLUSP30BACE1BACE2MAPT
SCHEMBL2386539 0.84 MAPT (0.38) BACE1MAPTKDM4EALDH1A1C1R
SCHEMBL3476220 0.82 ALPL (0.33) ALPLMAPTKDM4EALDH1A1C1R
SCHEMBL2386246 0.79 BACE1 (0.41) ALPLUSP30BACE1BACE2DGAT1
SCHEMBL2387946 0.77 USP30 (0.35) USP30BACE1BACE2DGAT1PDGFRB
SCHEMBL10310887 0.71 USP30 (0.36) USP30BACE1BACE2DGAT1PDGFRB
SCHEMBL3476222 0.71 KDR (0.35) ALPLMAPTKDM4EALDH1A1PDGFRB
SCHEMBL2640963 0.71 BACE1 (0.37) USP30BACE1BACE2MAPTKDM4E
SCHEMBL2588954 0.70 USP30 (0.40) ALPLUSP30BACE1BACE2DGAT1
SCHEMBL10215065 0.70 USP30 (0.44) ALPLUSP30BACE1BACE2DGAT1

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 ALPL 2484/4885USP30 4276/4885BACE1 4467/4885

“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.