SCHEMBL2386617

SCHEMBL2386617

Nc1ncc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1-c1nc2ncccc2o1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.47
PIK3CG P48736 13/20 0.47
PIK3CB P42338 11/20 0.47
PIK3C3 Q8NEB9 3/20 0.47
KCNH2 Q12809 1/20 0.45
MTOR P42345 3/20 0.45
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
SHMT2 P34897 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
SCHEMBL2386042 0.86 PIK3CD (0.47) PIK3CDPIK3CGPIK3CBPIK3C3KCNH2
SCHEMBL2387550 0.80 ATR (0.48) NPC1KDM4EALDH1A1HPGDNPSR1
SCHEMBL2387641 0.78 MET (0.59) PIK3CDPIK3CGPIK3CBPIK3C3KCNH2
SCHEMBL2386834 0.75 MET (0.50) KCNH2NPC1KDM4EALDH1A1HPGD
SCHEMBL2385772 0.74 MET (0.58) KCNH2
SCHEMBL2385763 0.72 MET (0.53) NPC1KDM4EALDH1A1HPGDNPSR1
SCHEMBL2385711 0.72 FYN (0.51) PIK3CDPIK3CGMTORNPC1KDM4E
SCHEMBL2385727 0.72 NPC1 (0.57) NPC1KDM4EALDH1A1HPGD
SCHEMBL12257087 0.72 MET (0.52) KCNH2NPC1KDM4EALDH1A1HPGD
SCHEMBL2387340 0.72 LRRK2 (0.53) NPC1KDM4EALDH1A1HPGD

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 PIK3CD 1039/4885PIK3CG 1036/4885PIK3CB 1018/4885

“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.