Sugi Predict

Sugi Predict / Compounds / SCHEMBL3058092

SCHEMBL3058092

SCHEMBL3058092

CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CCOC5)cc4)no3)n2)cc1

nearest known ligand 0.91

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.91
▸ ATM Q13315 11/20 0.91
▸ PRKDC P78527 6/20 0.72
▸ GSK3B P49841 3/20 0.72
▸ JAK2 O60674 1/20 0.72
▸ ABL1 P00519 1/20 0.72
▸ KIT P10721 1/20 0.72
▸ SERPINA2 P20848 1/20 0.72
▸ PIK3R1 P27986 1/20 0.72
▸ FLT4 P35916 1/20 0.72
▸ FLT3 P36888 1/20 0.72
▸ PIK3CA P42336 1/20 0.72
▸ MTOR P42345 1/20 0.72
▸ SYK P43405 1/20 0.72
▸ GSK3A P49840 1/20 0.72
▸ MAP3K9 P80192 1/20 0.72
▸ KCNH2 Q12809 1/20 0.72
▸ MERTK Q12866 1/20 0.72
▸ DYRK2 Q92630 1/20 0.72

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
SCHEMBL3058089 1.00 ATR (0.91) ATRATMPRKDCGSK3BJAK2
SCHEMBL3061776 1.00 ATR (0.91) ATRATMPRKDCGSK3BJAK2
SCHEMBL14829258 0.95 ATR (1.00) ATRATMPRKDCGSK3BJAK2
SCHEMBL3051561 0.93 ATR (0.80) ATRATMPRKDCGSK3BJAK2
SCHEMBL3051556 0.93 ATR (0.80) ATRATMPRKDCGSK3BJAK2
SCHEMBL3060477 0.93 ATR (0.80) ATRATMPRKDCGSK3BJAK2
SCHEMBL3055971 0.92 ATR (0.78) ATRATMPRKDCGSK3BJAK2
SCHEMBL3051980 0.92 ATR (0.78) ATRATMPRKDCGSK3BJAK2
SCHEMBL3051983 0.92 ATR (0.78) ATRATMPRKDCGSK3BJAK2
SCHEMBL3041936 0.91 ATR (0.76) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2023-02-02 — — US disclosed
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 — — EP disclosed
EP-3354650-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2022-02-16 — — EP disclosed
US-10961232-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-03-30 — — US disclosed
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
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
EP-2376485-B1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2017-12-06 — — EP disclosed
US-9701674-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-11 — — US disclosed
EP-2751099-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2017-06-14 — — EP 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
US-8841308-B2 Pyrazin-2-amines useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 — — US disclosed
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-02 — — 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 (9 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-10961232-B2 Substituted pyrazines as ATR kinase inhibitors ATR, MAP3K5, CHEK1 ATR 1/4885ATM 41/4885PRKDC 29/4885
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ATM 39/4885PRKDC 23/4885
US-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ATM 39/4885PRKDC 23/4885
US-20190047995-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ATM 39/4885PRKDC 23/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ATM 39/4885PRKDC 23/4885
US-10479784-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase ATR, CHEK2, CHEK1 ATR 1/4885ATM 28/4885PRKDC 31/4885
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.