SCHEMBL2388083

SCHEMBL2388083

CN1CCN(c2cccc(-c3cnc(N)c(-c4nc5ccccc5o4)n3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 12/20 0.54
PRKDC P78527 1/20 0.54
ATM Q13315 1/20 0.54
CHEK1 O14757 1/20 0.45
MET P08581 1/20 0.45
AXL P30530 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DHFR P00374 1/20 0.42

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
SCHEMBL2385954 0.91 ATR (0.54) ATRPRKDCATMMETKDM4E
SCHEMBL2386796 0.90 ATR (0.53) ATRPRKDCATMMETKDM4E
SCHEMBL2384678 0.89 ATR (0.54) ATRPRKDCATMMETKDM4E
SCHEMBL2387531 0.89 ATR (0.55) ATRPRKDCATMMETKDM4E
SCHEMBL2386592 0.83 MET (0.63) METAXL
SCHEMBL2387033 0.83 ATR (0.71) ATRPRKDCATMCHEK1MET
SCHEMBL4003249 0.79 ATR (0.64) ATRPRKDCATM
SCHEMBL13138764 0.79 ATR (0.72) ATRPRKDCATMMETMEN1
SCHEMBL2389060 0.78 ATR (0.60) ATRPRKDCATMMET
SCHEMBL2386159 0.77 ATR (0.59) ATRPRKDCATMMET

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 6 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
CN-101910158-A Pyridine and pyrazine derivatives useful in the treatment of cell proliferative disorders ASTRAZENECA AB 2010-12-08 CN 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 ATR 1304/4885PRKDC 1836/4885ATM 2075/4885

“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.