SCHEMBL10138726

SCHEMBL10138726

CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccccc3)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.76
PRKDC P78527 5/20 0.76
GSK3B P49841 3/20 0.76
ATM Q13315 9/20 0.74

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
SCHEMBL2513058 0.86 ATR (1.00) ATRPRKDCGSK3BATM
SCHEMBL10309250 0.86 ATR (0.63) ATRPRKDCGSK3BATM
SCHEMBL14917422 0.85 ATR (1.00) ATRPRKDCGSK3BATM
SCHEMBL14930746 0.85 ATR (0.66) ATRPRKDCGSK3BATM
SCHEMBL30275264 0.85 ATR (1.00) ATRPRKDCGSK3BATM
SCHEMBL16425238 0.85 ATR (0.60) ATRPRKDCGSK3BATM
SCHEMBL14916345 0.85 ATR (0.66) ATRPRKDCGSK3BATM
SCHEMBL14941384 0.85 ATR (0.66) ATRPRKDCGSK3BATM
SCHEMBL10309268 0.84 ATR (0.62) ATRPRKDCGSK3BATM
SCHEMBL10309280 0.83 ATR (0.60) ATRPRKDCGSK3BATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 US disclosed
WO-2011143423-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 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-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 29/4885GSK3B 229/4885

“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.