SCHEMBL16489028

SCHEMBL16489028

CC(C)S(=O)(=O)c1ccc(-c2cncc(-c3nnc(CCN)o3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.73
GSK3B P49841 1/20 0.50
PRKDC P78527 1/20 0.50

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
SCHEMBL16420491 0.94 ATR (0.74) ATRGSK3BPRKDC
SCHEMBL16420483 0.93 ATR (0.74) ATRGSK3BPRKDC
SCHEMBL16420568 0.91 ATR (0.70) ATRGSK3BPRKDC
SCHEMBL18177388 0.87 ATR (0.56) ATRGSK3BPRKDC
SCHEMBL13138213 0.84 ATR (1.00) ATRGSK3BPRKDC
SCHEMBL16420479 0.84 ATR (0.71) ATRGSK3BPRKDC
SCHEMBL20433204 0.83 ATR (0.83) ATRGSK3BPRKDC
SCHEMBL16420598 0.83 ATR (0.61) ATRGSK3BPRKDC
SCHEMBL18177403 0.83 ATR (0.54) ATRGSK3BPRKDC
SCHEMBL16420735 0.83 ATR (0.52) ATRGSK3BPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 EP disclosed
EP-3354650-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2018-08-01 EP disclosed
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2018-06-21 US disclosed
US-9701674-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-11 US disclosed
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-10-27 US disclosed
US-9365557-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-02-19 US 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 (3 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-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885GSK3B 216/4885PRKDC 23/4885
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885GSK3B 216/4885PRKDC 23/4885
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885GSK3B 216/4885PRKDC 23/4885

“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.