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Sugi Predict / Compounds / SCHEMBL16420486

SCHEMBL16420486

SCHEMBL16420486

CC(C)S(=O)(=O)c1ccc(-c2cncc(-c3cc(-c4ccc(CN)cc4)no3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 18/20 0.72
▸ ATM Q13315 12/20 0.72
▸ PRKDC P78527 6/20 0.58
▸ GSK3B P49841 3/20 0.58
▸ JAK2 O60674 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ KIT P10721 1/20 0.58
▸ SERPINA2 P20848 1/20 0.58
▸ PIK3R1 P27986 1/20 0.58
▸ FLT4 P35916 1/20 0.58
▸ FLT3 P36888 1/20 0.58
▸ PIK3CA P42336 1/20 0.58
▸ MTOR P42345 1/20 0.58
▸ SYK P43405 1/20 0.58
▸ GSK3A P49840 1/20 0.58
▸ MAP3K9 P80192 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ MERTK Q12866 1/20 0.58
▸ DYRK2 Q92630 1/20 0.58
▸ PTGS2 P35354 2/20 0.40

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
SCHEMBL30275157 0.92 ATR (0.67) ATRATMPRKDCGSK3BJAK2
SCHEMBL29565801 0.88 ATR (0.72) ATRATMPRKDCGSK3BJAK2
SCHEMBL3699040 0.88 ATR (0.72) ATRATMPRKDCGSK3BJAK2
SCHEMBL2641655 0.87 ATR (0.69) ATRATMPRKDCGSK3BJAK2
SCHEMBL17826097 0.87 ATR (0.60) ATRATMPRKDCGSK3BJAK2
SCHEMBL17826096 0.86 ATR (0.73) ATRATMPRKDCGSK3BJAK2
SCHEMBL15859469 0.84 ATR (0.53) ATRATMPRKDCGSK3BJAK2
SCHEMBL16420488 0.84 ATR (0.60) ATRATMPRKDCGSK3BJAK2
SCHEMBL17826098 0.84 ATR (0.63) ATRATMPRKDCGSK3BJAK2
SCHEMBL13137801 0.84 ATR (1.00) ATRATMPRKDCGSK3BJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-29 — — 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 (4 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-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ATM 39/4885PRKDC 23/4885
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ATM 39/4885PRKDC 23/4885
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ATM 39/4885PRKDC 23/4885
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ATM 39/4885PRKDC 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.