SCHEMBL506428

SCHEMBL506428

COCCn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 11/20 0.38
LIPG Q9Y5X9 11/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
DGAT1 O75907 1/20 0.34
F11 P03951 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GSK3B P49841 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL22655354 0.86 CA1 (0.42) LPLLIPGCA1CA2CA9
SCHEMBL16465393 0.84 LIPG (0.47) LPLLIPGCA1CA2CA9
SCHEMBL506042 0.83 LIPG (0.40) LPLLIPGCA1CA2CA9
SCHEMBL506778 0.81 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL24094491 0.81 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL22655324 0.81 LPL (0.38) LPLLIPGCA1CA2CA9
SCHEMBL21730386 0.81 LIPG (0.38) LPLLIPGCA1CA2CA9
SCHEMBL25432068 0.80 ALDH1A1 (0.36) LPLLIPGCA1CA2CA9
SCHEMBL22655298 0.80 LPL (0.38) LPLLIPGCA1CA2CA9
SCHEMBL18150899 0.80 ACACB (0.36) LPLLIPGCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181092-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2024-05-03 CN disclosed
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-05-04 US disclosed
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-05-04 US disclosed
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-05-04 US disclosed
US-11571420-B2 Pyrazine compounds and uses thereof DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-02-07 US disclosed
US-11571420-B2 Pyrazine compounds and uses thereof DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-02-07 US disclosed
CN-115181092-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-10-14 CN disclosed
CN-112279837-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-08-09 CN disclosed
CN-111747954-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2021-08-24 CN disclosed
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-08-19 US disclosed
US-10898481-B2 Pyrazine compounds and uses thereof DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-01-26 US disclosed
CN-112055709-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2020-12-08 CN disclosed
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-10-22 US disclosed
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-10-22 US disclosed
CN-111747954-A Pyrazine compounds and uses thereof 迪哲(江苏)医药有限公司 2020-10-09 CN disclosed
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 WO disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 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

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-10898481-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 LPL 1722/4885LIPG 1863/4885CA1 4051/4885
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 LPL 1722/4885LIPG 1863/4885CA1 4051/4885
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 LPL 4640/4885LIPG 3962/4885CA1 4196/4885
US-11571420-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 LPL 1722/4885LIPG 1863/4885CA1 4051/4885
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 LPL 1722/4885LIPG 1863/4885CA1 4051/4885
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 LPL 1722/4885LIPG 1863/4885CA1 4051/4885

“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.