SCHEMBL2388959

SCHEMBL2388959

Nc1ncc(-c2cccc(CN3CCCCC3)c2)cc1-c1nc2cccnc2o1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.52
GRK5 P34947 2/20 0.42
MET P08581 4/20 0.42
SGMS2 Q8NHU3 5/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 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
SCHEMBL2387184 0.99 LRRK2 (0.53) LRRK2GRK5METSGMS2DRD2
SCHEMBL2388544 0.86 MET (0.57) LRRK2MET
SCHEMBL2387559 0.85 LRRK2 (0.52) LRRK2METDRD2DRD4DRD3
SCHEMBL2385709 0.84 LRRK2 (0.51) LRRK2GRK5MET
SCHEMBL2387340 0.84 LRRK2 (0.53) LRRK2METDRD2DRD4DRD3
SCHEMBL2384888 0.83 LRRK2 (0.52) LRRK2GRK5MET
SCHEMBL2384685 0.83 LRRK2 (0.52) LRRK2GRK5MET
SCHEMBL2386691 0.82 LRRK2 (0.60) LRRK2GRK5METHRH3
SCHEMBL2385014 0.81 SGMS2 (0.52) GRK5METSGMS2
SCHEMBL12257083 0.79 BMPR1B (0.48) MET

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.