SCHEMBL2386367

SCHEMBL2386367

Nc1ncc(-c2cccc(C(=O)NCCN3CCOCC3)c2)cc1-c1nc2ncccc2o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK5 P34947 1/20 0.71
MAP4K4 O95819 2/20 0.53
ERN1 O75460 1/20 0.48
ATR Q13535 2/20 0.48
CD274 Q9NZQ7 2/20 0.47
HPGDS O60760 1/20 0.47
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CG P48736 1/20 0.45
CAMK2D Q13557 1/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PSMD14 O00487 1/20 0.44
STAMBP O95630 1/20 0.44
FYN P06241 1/20 0.44
HPGD P15428 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL2388790 0.94 GRK5 (0.62) GRK5MAP4K4ERN1ATRCAMK2D
SCHEMBL2386322 0.88 GRK5 (0.78) GRK5MAP4K4ERN1ATRCD274
SCHEMBL2386742 0.87 GRK5 (0.74) GRK5MAP4K4ERN1ATRCD274
SCHEMBL2387613 0.87 GRK5 (0.72) GRK5MAP4K4ERN1ATRCD274
SCHEMBL2384991 0.81 GRK5 (0.68) GRK5MAP4K4ERN1ATRCAMK2D
SCHEMBL2387550 0.81 ATR (0.48) GRK5ATRPSMD14FYNHPGD
SCHEMBL2387848 0.81 GRK5 (0.63) GRK5MAP4K4ERN1ATRFYN
SCHEMBL2384703 0.78 FYN (0.60) GRK5ATRADORA2APIK3CDFYN
SCHEMBL2387793 0.78 FYN (0.47) GRK5MAP4K4FYN
SCHEMBL2385711 0.77 FYN (0.51) GRK5ATRPIK3CDPIK3CGFYN

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 GRK5 579/4885MAP4K4 233/4885ERN1 2668/4885

“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.