SCHEMBL14829231

SCHEMBL14829231

CC(C)(C)OC(=O)N(Cc1ccc(/C(Cl)=N\O)cc1)C1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 2/20 0.38
KDM1A O60341 2/20 0.36
GPR119 Q8TDV5 3/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
EZH2 Q15910 1/20 0.34
HTR2A P28223 2/20 0.34
LMNA P02545 1/20 0.33
AGER Q15109 1/20 0.33
CETP P11597 1/20 0.33
REN P00797 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL12988780 1.00 HSD11B1 (0.40) HSD11B1NR1H4HDAC8HDAC6HDAC3
SCHEMBL12988779 1.00 HSD11B1 (0.40) HSD11B1NR1H4HDAC8HDAC6HDAC3
SCHEMBL21440281 0.86 HTR2A (0.37) HDAC8HDAC6HDAC3HTR2ALMNA
SCHEMBL13250230 0.85 HSD11B1 (0.43) HSD11B1NR1H4HDAC8HDAC6HDAC3
SCHEMBL14841787 0.84 AGER (0.41) HDAC8HDAC6HDAC3HDAC1HTR2A
SCHEMBL12987671 0.82 KDM1A (0.41) HSD11B1NR1H4HDAC8HDAC6HDAC3
SCHEMBL12987673 0.82 KDM1A (0.41) HSD11B1NR1H4HDAC8HDAC6HDAC3
SCHEMBL14829217 0.82 KDM1A (0.41) HSD11B1NR1H4HDAC8HDAC6HDAC3
SCHEMBL25609126 0.81 HTR2A (0.46) HSD11B1NR1H4HTR2ALMNA
SCHEMBL14838596 0.79 NR1H4 (0.41) HSD11B1NR1H4HDAC8HDAC6HDAC3

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 20 patents. 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
EP-2751099-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2017-06-14 EP disclosed
EP-2940017-A2 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2015-11-04 EP disclosed
US-20150274710-A1 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-10-01 US disclosed
US-9035053-B2 Processes for making compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-19 US disclosed
US-8846686-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-30 US disclosed
EP-2751097-A2 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2014-07-09 EP disclosed
EP-2751099-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2014-07-09 EP disclosed
US-20130184292-A1 Processes for Making Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-20130089625-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
WO-2013049726-A2 PROCESSES FOR MAKING 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 HSD11B1 2481/4885NR1H4 4703/4885HDAC8 2193/4885
US-20130184292-A1 Processes for Making Compounds Useful as Inhibitors of ATR Kinase ATR, ATRIP, CHEK1 HSD11B1 2670/4885NR1H4 4694/4885HDAC8 2207/4885
US-20190202818-A1 PROCESSES FOR PREPARING ATR INHIBITORS ATR, ATRIP, CHEK1 HSD11B1 2307/4885NR1H4 4740/4885HDAC8 2190/4885
US-10435397-B2 ATR, ATRIP, TBK1 HSD11B1 2802/4885NR1H4 4470/4885HDAC8 1890/4885
US-20150274710-A1 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, ATRIP, CHEK1 HSD11B1 2670/4885NR1H4 4694/4885HDAC8 2207/4885
US-20130089625-A1 Compounds Useful as Inhibitors of ATR Kinase ATR, CHEK1, MAP3K1 HSD11B1 2912/4885NR1H4 4614/4885HDAC8 1507/4885
US-20180244662-A1 PROCESSES FOR PREPARING ATR INHIBITORS ATR, ATRIP, CHEK1 HSD11B1 2307/4885NR1H4 4740/4885HDAC8 2190/4885
US-10208027-B2 Processes for preparing ATR inhibitors ATR, ATRIP, CHEK1 HSD11B1 2307/4885NR1H4 4740/4885HDAC8 2190/4885

“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.