SCHEMBL22551889

SCHEMBL22551889

COc1ccccc1CNC(=O)c1nc(-c2ccc(=O)n(C(C)C)c2)c(-c2ccc(F)cc2)nc1N

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.61
ADORA1 P30542 8/20 0.61
ADORA2B P29275 2/20 0.61
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
KLKB1 P03952 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RCE1 Q9Y256 1/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 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
SCHEMBL29906700 1.00 ADORA2A (0.61) ADORA2AADORA1ADORA2BTP53LMNA
SCHEMBL22552132 0.94 ADORA2A (0.60) ADORA2AADORA1ADORA2BTP53LMNA
SCHEMBL21722355 0.90 ADORA2A (0.73) ADORA2AADORA1ADORA2BTP53LMNA
SCHEMBL21730176 0.88 ADORA2A (0.63) ADORA2AADORA1ADORA2BTP53LMNA
SCHEMBL29906697 0.88 ADORA2A (0.63) ADORA2AADORA1ADORA2BTP53LMNA
SCHEMBL29906692 0.84 ADORA2A (0.83) ADORA2AADORA1ADORA2BTP53LMNA
SCHEMBL22551955 0.84 ADORA2A (0.83) ADORA2AADORA1ADORA2BTP53LMNA
SCHEMBL21722380 0.83 ADORA2A (0.69) ADORA2AADORA1ADORA2B
SCHEMBL22552058 0.82 ADORA2A (0.66) ADORA2AADORA1ADORA2BTP53LMNA
SCHEMBL29907792 0.82 ADORA2A (0.66) ADORA2AADORA1ADORA2BTP53LMNA

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 16 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 claimed
CN-115181092-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-10-14 CN claimed
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-08-19 US claimed
CN-112279837-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2021-01-29 CN claimed
CN-112055709-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2020-12-08 CN claimed
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
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
US-10898481-B2 Pyrazine compounds and uses thereof DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-01-26 US 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

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 3/4885ADORA2B 2/4885
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 2/4885
US-11571420-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 2/4885
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 2/4885
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 2/4885

“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.