SCHEMBL13138762

SCHEMBL13138762

Nc1ncc(-c2ccccc2)nc1-c1nc2ccccc2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.72
PRKDC P78527 1/20 0.72
ATM Q13315 1/20 0.72
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ILK Q13418 5/20 0.52
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
APP P05067 3/20 0.51
MAPT P10636 3/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL24681636 0.86 ATR (0.59) ATRPRKDCATMNPC1RAB9A
SCHEMBL20433664 0.86 ATR (0.69) ATRPRKDCATMNPC1RAB9A
SCHEMBL2482361 0.84 ATR (1.00) ATRPRKDCATMNPC1RAB9A
SCHEMBL20433433 0.84 ATR (0.69) ATRPRKDCATMNPC1RAB9A
SCHEMBL13138758 0.82 PRKDC (0.57) ATRPRKDCATMNPC1RAB9A
SCHEMBL13346073 0.81 PRKDC (0.56) ATRPRKDCATMNPC1RAB9A
SCHEMBL2386563 0.78 ATR (0.54) ATRPRKDCATMNPC1RAB9A
SCHEMBL6701248 0.78 ATR (0.66) ATRPRKDC
SCHEMBL32688927 0.78 ATR (0.66) ATRPRKDC
SCHEMBL1128092 0.77 NPC1 (0.57) ATRPRKDCATMNPC1RAB9A

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 26 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-3354650-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2022-02-16 EP disclosed
US-11179394-B2 Method for treating cancer using a combination of Chk1 and ATR inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-11-23 US disclosed
US-11110086-B2 Compounds useful as inhibitors of ATR kinase and combination therapies thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-09-07 US disclosed
US-10961232-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-03-30 US disclosed
US-20200222392-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2020-07-16 US disclosed
US-10479784-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-11-19 US disclosed
US-10478430-B2 Compounds useful as inhibitors of ATR kinase and combination therapies thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-11-19 US disclosed
EP-3157566-B1 METHOD FOR TREATING CANCER USING A COMBINATION OF CHK1 AND ATR INHIBITORS VERTEX PHARMA (US) 2019-05-01 EP disclosed
US-20190047995-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2019-02-14 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-20160030424-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-02-04 US disclosed
US-20150359797-A1 METHOD FOR TREATING CANCER USING A COMBINATION OF CHK1 AND ATR INHIBITORS VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2015-12-17 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-20140044802-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-13 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 (15 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-20200222392-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF ATR, CHEK1, CHEK2 ATR 1/4885PRKDC 13/4885ATM 14/4885
US-11110086-B2 Compounds useful as inhibitors of ATR kinase and combination therapies thereof ATR, CHEK1, CHEK2 ATR 1/4885PRKDC 20/4885ATM 16/4885
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-11179394-B2 Method for treating cancer using a combination of Chk1 and ATR inhibitors CHEK1, CHEK2, ATR ATR 3/4885PRKDC 73/4885ATM 7/4885
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-20150359797-A1 METHOD FOR TREATING CANCER USING A COMBINATION OF CHK1 AND ATR INHIBITORS CHEK1, CHEK2, ATR ATR 3/4885PRKDC 73/4885ATM 7/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 23/4885ATM 39/4885
US-10478430-B2 Compounds useful as inhibitors of ATR kinase and combination therapies thereof ATR, CHEK1, CHEK2 ATR 1/4885PRKDC 20/4885ATM 16/4885
US-20140044802-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF ATR, CHEK1, CHEK2 ATR 1/4885PRKDC 20/4885ATM 16/4885
US-20160030424-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF ATR, CHEK1, CHEK2 ATR 1/4885PRKDC 20/4885ATM 16/4885
US-10479784-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase ATR, CHEK2, CHEK1 ATR 1/4885PRKDC 31/4885ATM 28/4885
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.