SCHEMBL20738835

SCHEMBL20738835

CCN(CC)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.70
▸ GSK3B P49841 1/20 0.70
▸ PRKDC P78527 1/20 0.70

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
SCHEMBL2483511 0.88 ATR (0.76) ATRGSK3BPRKDC
SCHEMBL2512070 0.85 ATR (0.80) ATRGSK3BPRKDC
SCHEMBL13138263 0.82 ATR (0.74) ATRGSK3BPRKDC
SCHEMBL2513058 0.82 ATR (1.00) ATRGSK3BPRKDC
SCHEMBL2524168 0.82 ATR (0.68) ATRGSK3BPRKDC
SCHEMBL13137928 0.81 ATR (1.00) ATRGSK3BPRKDC
SCHEMBL24248235 0.79 ATR (0.85) ATRGSK3BPRKDC
SCHEMBL13137874 0.78 ATR (0.65) ATRGSK3BPRKDC
SCHEMBL16489083 0.78 ATR (0.62) ATRGSK3BPRKDC
SCHEMBL20283867 0.78 ATR (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479784-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-11-19 — — US disclosed
US-20190047995-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2019-02-14 — — 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 (2 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-20190047995-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885GSK3B 216/4885PRKDC 23/4885
US-10479784-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase ATR, CHEK2, CHEK1 ATR 1/4885GSK3B 313/4885PRKDC 31/4885

“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.

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