SCHEMBL2386763

SCHEMBL2386763

CN(C)S(=O)(=O)c1cccc(-c2cnc(N)c(-c3nc4ccccc4o3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.66
PRKDC P78527 2/20 0.66
ATM Q13315 2/20 0.66
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GSK3B P49841 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL2387754 0.89 ATR (0.79) ATRPRKDCATMGSK3B
SCHEMBL2385237 0.89 ATR (0.79) ATRPRKDCATMGSK3B
SCHEMBL2387858 0.87 ATR (0.67) ATRPRKDCATMGSK3B
SCHEMBL2389463 0.84 MET (0.59) ATRPRKDCATMALDH1A1NPC1
SCHEMBL2389060 0.83 ATR (0.60) ATRPRKDCATM
SCHEMBL2387491 0.80 ATR (0.62) ATRPRKDCATM
SCHEMBL13138764 0.79 ATR (0.72) ATRPRKDCATMNPC1RAB9A
SCHEMBL17657921 0.76 ALDH1A1 (0.50) ATRPRKDCATMALDH1A1NPC1
SCHEMBL15308589 0.76 ALDH1A1 (0.52) ATRPRKDCATMALDH1A1NPC1
SCHEMBL28794164 0.76 ATR (0.57) ATRPRKDCATMALDH1A1NPC1

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 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.