SCHEMBL558136

SCHEMBL558136

CC(C)S(=O)(=O)c1ccc(-c2cnc(N)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 5/20 0.51
ATR Q13535 14/20 0.50
ATM Q13315 7/20 0.50
PRKDC P78527 4/20 0.50
ALOX5AP P20292 4/20 0.50
GSK3B P49841 3/20 0.50

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
SCHEMBL30829217 1.00 FEN1 (0.51) FEN1ATRATMPRKDCALOX5AP
SCHEMBL28101536 0.90 ATR (0.47) FEN1ATRATMPRKDCALOX5AP
SCHEMBL387443 0.83 ALOX5AP (0.52) FEN1ATRATMPRKDCALOX5AP
SCHEMBL30139279 0.82 ATR (0.44) FEN1ATRATMPRKDCALOX5AP
SCHEMBL30969223 0.81 ATR (0.48) ATRATMPRKDCGSK3B
SCHEMBL10141747 0.79 MAPK1 (0.52) FEN1ATRATMPRKDCALOX5AP
SCHEMBL10309252 0.79 ATR (0.58) ATRATMPRKDCGSK3B
SCHEMBL29266782 0.79 ATR (0.46) ATRATMPRKDCGSK3B
SCHEMBL557518 0.78 ATR (0.58) ATRATMPRKDCGSK3B
SCHEMBL3997838 0.78 KDM4E (0.58) FEN1ATRATMPRKDCALOX5AP

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 68 patents — showing the first 20. 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
CN-106518856-A Pyrazine derivatives useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2017-03-22 CN disclosed
CN-106496210-A It is used as the compound of ATR kinase inhibitors 沃泰克斯药物股份有限公司 2017-03-15 CN disclosed
CN-106496209-A It is used as the compound of ATR kinase inhibitors 沃泰克斯药物股份有限公司 2017-03-15 CN disclosed
US-9309250-B2 Substituted pyrrolo[2,3-b]pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-12 US disclosed
US-9309250-B2 Substituted pyrrolo[2,3-b]pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-12 US disclosed
US-9309250-B2 Substituted pyrrolo[2,3-b]pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-12 US disclosed
US-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-01-14 US disclosed
US-20120046295-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 US disclosed
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 US disclosed
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 US disclosed
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 US disclosed
WO-2011163527-A1 PYRROLO- PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-29 WO disclosed
WO-2011163527-A1 PYRROLO- PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-29 WO disclosed
WO-2011143399-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
WO-2011143399-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
WO-2011143423-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
WO-2011143423-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 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 (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-20120046295-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 FEN1 530/4885ATR 1/4885ATM 50/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 FEN1 688/4885ATR 1/4885ATM 39/4885
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 FEN1 733/4885ATR 1/4885ATM 41/4885
US-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 FEN1 530/4885ATR 1/4885ATM 50/4885

“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.