SCHEMBL14829258

SCHEMBL14829258

CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CCOCC5)cc4)no3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 1.00
ATM Q13315 11/20 1.00
PRKDC P78527 6/20 0.75
GSK3B P49841 3/20 0.75
JAK2 O60674 1/20 0.75
ABL1 P00519 1/20 0.75
KIT P10721 1/20 0.75
SERPINA2 P20848 1/20 0.75
PIK3R1 P27986 1/20 0.75
FLT4 P35916 1/20 0.75
FLT3 P36888 1/20 0.75
PIK3CA P42336 1/20 0.75
MTOR P42345 1/20 0.75
SYK P43405 1/20 0.75
GSK3A P49840 1/20 0.75
MAP3K9 P80192 1/20 0.75
KCNH2 Q12809 1/20 0.75
MERTK Q12866 1/20 0.75
DYRK2 Q92630 1/20 0.75
PRKD1 Q15139 1/20 0.49

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
SCHEMBL14849986 0.96 ATR (0.91) ATRATMPRKDCGSK3BJAK2
SCHEMBL14849982 0.96 ATR (0.91) ATRATMPRKDCGSK3BJAK2
SCHEMBL3058089 0.95 ATR (0.91) ATRATMPRKDCGSK3BJAK2
SCHEMBL3058092 0.95 ATR (0.91) ATRATMPRKDCGSK3BJAK2
SCHEMBL3061776 0.95 ATR (0.91) ATRATMPRKDCGSK3BJAK2
SCHEMBL14849983 0.95 ATR (0.90) ATRATMPRKDCGSK3BJAK2
SCHEMBL14849985 0.95 ATR (0.90) ATRATMPRKDCGSK3BJAK2
SCHEMBL14849984 0.95 ATR (0.90) ATRATMPRKDCGSK3BJAK2
SCHEMBL14849979 0.94 ATR (0.88) ATRATMPRKDCGSK3BJAK2
SCHEMBL14849988 0.92 ATR (0.85) 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3878851-A1 PROCESS FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2021-09-15 EP disclosed
US-10822331-B2 Processes for preparing ATR inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-11-03 US disclosed
EP-3608316-A1 DEUTERATED DERIVATIVES OF AN INHIBITOR OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2020-02-12 EP disclosed
US-10435397-B2 2019-10-08 US disclosed
EP-2940017-B1 Process for making compounds useful as inhibitors of ATR kinase VERTEX PHARMA (US) 2019-08-28 EP disclosed
US-20190202818-A1 PROCESSES FOR PREPARING ATR INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2019-07-04 US disclosed
US-10208027-B2 Processes for preparing ATR inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-02-19 US disclosed
US-20180244662-A1 PROCESSES FOR PREPARING ATR INHIBITORS VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2018-08-30 US disclosed
US-9862709-B2 Processes for making compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-09 US disclosed
US-9862709-B2 Processes for making compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-09 US disclosed
WO-2013071094-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-16 WO disclosed
US-20130115314-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-09 US disclosed
US-20130115314-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-09 US disclosed
US-20130115314-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-09 US disclosed
US-20130089625-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130089625-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130089625-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
WO-2013049722-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 WO disclosed
WO-2013049722-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 WO disclosed
WO-2013049726-A2 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 WO 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 (7 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-10822331-B2 Processes for preparing ATR inhibitors ATR, ATRIP, CHEK1 ATR 1/4885ATM 17/4885PRKDC 21/4885
US-20190202818-A1 PROCESSES FOR PREPARING ATR INHIBITORS ATR, ATRIP, CHEK1 ATR 1/4885ATM 19/4885PRKDC 20/4885
US-20130115314-A1 Compounds Useful as Inhibitors of ATR Kinase ATR, CHEK1, CHEK2 ATR 1/4885ATM 31/4885PRKDC 25/4885
US-10435397-B2 ATR, ATRIP, TBK1 ATR 1/4885ATM 35/4885PRKDC 22/4885
US-20130089625-A1 Compounds Useful as Inhibitors of ATR Kinase ATR, CHEK1, MAP3K1 ATR 1/4885ATM 39/4885PRKDC 23/4885
US-20180244662-A1 PROCESSES FOR PREPARING ATR INHIBITORS ATR, ATRIP, CHEK1 ATR 1/4885ATM 19/4885PRKDC 20/4885
US-10208027-B2 Processes for preparing ATR inhibitors ATR, ATRIP, CHEK1 ATR 1/4885ATM 19/4885PRKDC 20/4885

“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.