SCHEMBL22551875

SCHEMBL22551875

CNc1ccc(F)c(CN)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.38
KCNH2 Q12809 2/20 0.35
SCN5A Q14524 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
AOC1 P19801 2/20 0.33
AOC3 Q16853 2/20 0.33
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 1/20 0.32
MAOB P27338 2/20 0.31
CYP2C19 P33261 2/20 0.31
APP P05067 3/20 0.31

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
SCHEMBL29907664 1.00 NCF1 (0.38) NCF1KCNH2SCN5APDCD1CD274
SCHEMBL26456159 0.84 NCF1 (0.41) NCF1KCNH2SCN5ACYP1A2CYP3A4
SCHEMBL5632552 0.78 NCF1 (0.39) NCF1KCNH2SCN5APDCD1CD274
SCHEMBL24687942 0.74 NCF1 (0.42) NCF1MAOBAPP
SCHEMBL22552064 0.73 ADORA2A (0.39) KCNH2SCN5A
Hydrochloric Acid SCHEMBL18764595 0.72 KDM4E (0.39) PDCD1CD274CYP1A2ALDH1A1CYP2C19
SCHEMBL22551925 0.71 BACE1 (0.36) NCF1
SCHEMBL29907666 0.71 BACE1 (0.36) NCF1
SCHEMBL15076836 0.71 NCF1 (0.43) NCF1KCNH2SCN5ACYP1A2CYP3A4
SCHEMBL29658998 0.71 NCF1 (0.43) NCF1KCNH2SCN5ACYP1A2CYP3A4

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 NCF1 1424/4885KCNH2 3333/4885SCN5A 1566/4885
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 NCF1 1424/4885KCNH2 3333/4885SCN5A 1566/4885
US-11571420-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 NCF1 1424/4885KCNH2 3333/4885SCN5A 1566/4885
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 NCF1 1424/4885KCNH2 3333/4885SCN5A 1566/4885
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 NCF1 1424/4885KCNH2 3333/4885SCN5A 1566/4885

“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.