SCHEMBL22551869

SCHEMBL22551869

COC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccccc2)nc1N

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.52
ADORA1 P30542 6/20 0.52
ALDH1A1 P00352 4/20 0.52
ADORA2B P29275 2/20 0.52
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.44
PLAU P00749 2/20 0.43

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
SCHEMBL29907688 1.00 ADORA2A (0.52) ADORA2AADORA1ALDH1A1ADORA2BKDM4E
SCHEMBL21722434 0.87 ADORA2A (0.56) ADORA2AADORA1ADORA2BPLAU
SCHEMBL22551825 0.87 ADORA2A (0.58) ADORA2AADORA1ALDH1A1ADORA2BKDM4E
SCHEMBL11805767 0.83 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL22551849 0.81 ADORA2A (0.66) ADORA2AADORA1ALDH1A1ADORA2BKDM4E
SCHEMBL22552116 0.80 ADORA2A (0.78) ADORA2AADORA1ALDH1A1ADORA2BKDM4E
SCHEMBL29906717 0.80 ADORA2A (0.78) ADORA2AADORA1ALDH1A1ADORA2BKDM4E
SCHEMBL5425548 0.79 SMN1; SMN2 (0.52) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL22551990 0.79 PLAU (0.50) ADORA2AADORA1ALDH1A1ADORA2BKDM4E
SCHEMBL20667751 0.78 ADORA2A (0.69) ADORA2A

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 17 patents. 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-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-08-19 US disclosed
CN-112279837-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2021-01-29 CN 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

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

For each of this compound's patents that has machine-readable text (5 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 ADORA2A 1/4885ADORA1 3/4885ALDH1A1 1105/4885
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885ALDH1A1 1105/4885
US-11571420-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885ALDH1A1 1105/4885
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885ALDH1A1 1105/4885
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885ALDH1A1 1105/4885

“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.