SCHEMBL2483577

SCHEMBL2483577

CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)NSNC(N)=O)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.67
PRKDC P78527 5/20 0.67
ATM Q13315 2/20 0.67
ATRIP Q8WXE1 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
SCHEMBL2480896 0.85 ATR (0.74) ATRPRKDCATMATRIP
SCHEMBL20433310 0.83 ATR (0.69) ATRPRKDCATM
SCHEMBL19672777 0.83 ATR (0.72) ATRPRKDCATMATRIP
SCHEMBL29266762 0.82 ATR (0.71) ATRPRKDCATM
SCHEMBL2483583 0.82 ATR (0.68) ATRPRKDCATMATRIP
SCHEMBL558245 0.81 ATR (0.72) ATRPRKDCATM
SCHEMBL30977052 0.81 ATR (0.72) ATRPRKDCATM
SCHEMBL28125905 0.80 ATR (0.71) ATRPRKDCATMATRIP
SCHEMBL2486905 0.77 ATR (0.63) ATRPRKDCATMATRIP
SCHEMBL19672806 0.77 ATR (0.63) ATRPRKDCATMATRIP

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 18 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
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
EP-2376485-A1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2011-10-19 EP disclosed
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-02 US disclosed
WO-2010071837-A1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 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 (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 1/4885PRKDC 29/4885ATM 41/4885
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 23/4885ATM 39/4885
US-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 23/4885ATM 39/4885
US-20190047995-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 23/4885ATM 39/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 23/4885ATM 39/4885
US-10479784-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase ATR, CHEK2, CHEK1 ATR 1/4885PRKDC 31/4885ATM 28/4885
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 23/4885ATM 39/4885
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 23/4885ATM 39/4885
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 23/4885ATM 39/4885

“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.