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SCHEMBL506015

SCHEMBL506015

CN(Cc1ccc(-c2cc(-c3nc(Br)cnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)on2)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.31
▸ GLS O94925 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ GPR119 Q8TDV5 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ ATR Q13535 1/20 0.30
▸ HTR2A P28223 1/20 0.30

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
SCHEMBL29458740 1.00 PPARA (0.31) PPARAGLSGRM2HTR2CSLC6A4
SCHEMBL2486777 0.95 PPARA (0.32) PPARAGRM2
SCHEMBL10178248 0.89 ATR (0.39) HDAC1HDAC6ATR
SCHEMBL30275224 0.88 PPARA (0.37) PPARAHDAC1HDAC8HDAC6ATR
SCHEMBL14829302 0.88 PPARA (0.37) PPARAHDAC1HDAC8HDAC6ATR
SCHEMBL2636945 0.87 BACE1 (0.32) PPARAGLSHTR2CSLC6A4HTR2A
SCHEMBL13178629 0.87 GLS (0.33) GLSHDAC1HDAC8HDAC6ATR
SCHEMBL14833165 0.85 PPARA (0.38) PPARAGLSHTR2CSLC6A4ATR
SCHEMBL15105510 0.84 PPARA (0.38) PPARAATR
SCHEMBL30275211 0.84 GPR119 (0.43) PPARAGPR119

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-9701674-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-11 — — US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 — — US disclosed
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-10-27 — — 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-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-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-2569313-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 — — EP disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 — — US disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — WO 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 (6 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-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 PPARA 3974/4885GLS 839/4885GRM2 2736/4885
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 PPARA 3722/4885GLS 823/4885GRM2 2709/4885
US-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 PPARA 3974/4885GLS 839/4885GRM2 2736/4885
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 PPARA 3974/4885GLS 839/4885GRM2 2736/4885
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 PPARA 3974/4885GLS 839/4885GRM2 2736/4885
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 PPARA 3974/4885GLS 839/4885GRM2 2736/4885

“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.