SCHEMBL2386322

SCHEMBL2386322

Nc1ncc(-c2cccc(C(=O)NCCN3CCOCC3)c2)cc1-c1nc2cccnc2o1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRK5 P34947 1/20 0.78
MAP4K4 O95819 3/20 0.55
ERN1 O75460 1/20 0.48
CD274 Q9NZQ7 2/20 0.47
HPGDS O60760 1/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CG P48736 1/20 0.47
ATR Q13535 2/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 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

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
SCHEMBL2384991 0.94 GRK5 (0.68) GRK5MAP4K4ERN1ATRCAMK2D
SCHEMBL2386367 0.88 GRK5 (0.71) GRK5MAP4K4ERN1CD274HPGDS
SCHEMBL2386742 0.87 GRK5 (0.74) GRK5MAP4K4ERN1CD274HPGDS
SCHEMBL2387613 0.87 GRK5 (0.72) GRK5MAP4K4ERN1CD274HPGDS
SCHEMBL2387166 0.83 PRKD3 (0.60) GRK5MAP4K4CAMK2DCYP2C19CYP2C9
SCHEMBL2386088 0.82 GRK5 (0.54) GRK5MAP4K4ADORA2AADORA1CAMK2D
SCHEMBL2388790 0.81 GRK5 (0.62) GRK5MAP4K4ERN1ATRCAMK2D
SCHEMBL2387884 0.81 GRK5 (0.52) GRK5MAP4K4ATRFYN
SCHEMBL2387848 0.81 GRK5 (0.63) GRK5MAP4K4ERN1ATRFYN
SCHEMBL2386280 0.78 FYN (0.60) GRK5PIK3CDPIK3CGATRADORA2A

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.