SCHEMBL14930746

SCHEMBL14930746

CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccccc4)n[nH]3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.66
ATM Q13315 10/20 0.66
PRKDC P78527 6/20 0.66
GSK3B P49841 3/20 0.66

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
SCHEMBL14916345 0.93 ATR (0.66) ATRATMPRKDCGSK3B
SCHEMBL10138726 0.85 ATR (0.76) ATRATMPRKDCGSK3B
SCHEMBL14927218 0.81 ATR (0.47) ATRATMPRKDCGSK3B
SCHEMBL14941384 0.80 ATR (0.66) ATRATMPRKDCGSK3B
SCHEMBL30275264 0.79 ATR (1.00) ATRATMPRKDCGSK3B
SCHEMBL2513058 0.78 ATR (1.00) ATRATMPRKDCGSK3B
SCHEMBL10309250 0.78 ATR (0.63) ATRATMPRKDCGSK3B
SCHEMBL14917422 0.77 ATR (1.00) ATRATMPRKDCGSK3B
SCHEMBL3055539 0.76 ATR (0.65) ATRATMPRKDCGSK3B
SCHEMBL10309268 0.76 ATR (0.62) ATRATMPRKDCGSK3B

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-8841337-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-20130115312-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-09 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 (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-20130115312-A1 Compounds Useful as Inhibitors of ATR Kinase ATR, CHEK1, CHEK2 ATR 1/4885ATM 31/4885PRKDC 25/4885

“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.