SCHEMBL2386691

SCHEMBL2386691

Nc1ncc(-c2ccc(CN3CCOCC3)cc2)cc1-c1nc2cccnc2o1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.60
GRK5 P34947 1/20 0.46
MET P08581 4/20 0.45
HRH3 Q9Y5N1 2/20 0.43
JAK2 O60674 1/20 0.43
PIK3CD O00329 1/20 0.43
FYN P06241 1/20 0.41
TGFBR1 P36897 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL2387631 0.87 LRRK2 (0.62) LRRK2MET
SCHEMBL2388522 0.83 LRRK2 (0.60) LRRK2GRK5METHRH3JAK2
SCHEMBL2386770 0.83 LRRK2 (0.60) LRRK2GRK5METHRH3JAK2
SCHEMBL2387184 0.83 LRRK2 (0.53) LRRK2GRK5MET
SCHEMBL2386093 0.83 MET (0.53) GRK5MET
SCHEMBL2388959 0.82 LRRK2 (0.52) LRRK2GRK5METHRH3
SCHEMBL2383649 0.81 KCNH2 (0.58) LRRK2GRK5METJAK2TGFBR1
SCHEMBL2388193 0.80 FYN (0.51) LRRK2GRK5METPIK3CDFYN
SCHEMBL2386713 0.79 MET (0.49) LRRK2GRK5METTGFBR1
SCHEMBL2388009 0.78 MET (0.55) GRK5METFYNTGFBR1

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 LRRK2 1684/4885GRK5 579/4885MET 2362/4885

“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.