SCHEMBL21730336

SCHEMBL21730336

CN(C)C1CCN(c2cccc(C#N)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.51
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
MAP4K4 O95819 1/20 0.47
EGLN2 Q96KS0 1/20 0.47
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
HSD11B1 P28845 1/20 0.44
HTR1D P28221 2/20 0.44
HTR3A P46098 2/20 0.44
HTR6 P50406 2/20 0.44
TMEM97 Q5BJF2 2/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR1B P28222 1/20 0.44
MAPK8 P45983 1/20 0.44
SLC6A3 Q01959 1/20 0.44
BTK Q06187 1/20 0.44
MRGPRX2 Q96LB1 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL29907733 1.00 CTSS (0.51) CTSSJAK2JAK3MAP4K4EGLN2
SCHEMBL30880817 0.92 CTSS (0.47) CTSSJAK2JAK3MAP4K4EGLN2
SCHEMBL21730298 0.92 CTSS (0.47) CTSSJAK2JAK3MAP4K4EGLN2
SCHEMBL29907630 0.89 CTSS (0.44) CTSSJAK2JAK3EGLN2HRH3
SCHEMBL21730269 0.89 CTSS (0.44) CTSSJAK2JAK3EGLN2HRH3
SCHEMBL25236628 0.80 MAP4K4 (0.51) MAP4K4HRH4HRH3HTR1DHTR3A
SCHEMBL7391451 0.79 CTSS (0.54) CTSSHRH4HRH3HTR3A
SCHEMBL7393501 0.79 HTR3A (0.57) MAP4K4HRH4HRH3HTR1DHTR3A
SCHEMBL15014503 0.79 CTSS (0.50) CTSSHSD11B1HTR3A
SCHEMBL17827960 0.77 HRH3 (0.49) MAP4K4HRH4HRH3HTR1DHTR3A

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-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
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 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 (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 CTSS 2550/4885JAK2 1576/4885JAK3 3288/4885
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 CTSS 2550/4885JAK2 1576/4885JAK3 3288/4885
US-11571420-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 CTSS 2550/4885JAK2 1576/4885JAK3 3288/4885
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 CTSS 2550/4885JAK2 1576/4885JAK3 3288/4885
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 CTSS 2550/4885JAK2 1576/4885JAK3 3288/4885

“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.