SCHEMBL29906687

SCHEMBL29906687

COc1ccccc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-n2cccn2)nc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.63
▸ ADORA1 P30542 2/20 0.63
▸ ADORA2B P29275 1/20 0.58
▸ RECQL P46063 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ POLB P06746 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ MAOB P27338 1/20 0.41

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
SCHEMBL22551777 1.00 ADORA2A (0.63) ADORA2AADORA1ADORA2BRECQLLMNA
SCHEMBL29906751 0.89 ADORA2A (0.64) ADORA2AADORA1ADORA2BRECQLLMNA
SCHEMBL22551827 0.89 ADORA2A (0.64) ADORA2AADORA1ADORA2BRECQLLMNA
SCHEMBL22552079 0.86 ADORA2A (0.65) ADORA2AADORA1ADORA2BRECQLLMNA
SCHEMBL29906679 0.86 ADORA2A (0.65) ADORA2AADORA1ADORA2BRECQLLMNA
SCHEMBL22552137 0.85 ADORA2A (0.47) ADORA2AADORA1ADORA2BLMNATP53
SCHEMBL29907519 0.85 ADORA2A (0.47) ADORA2AADORA1ADORA2BLMNATP53
SCHEMBL22552116 0.84 ADORA2A (0.78) ADORA2AADORA1ADORA2BRECQLLMNA
SCHEMBL29906717 0.84 ADORA2A (0.78) ADORA2AADORA1ADORA2BRECQLLMNA
SCHEMBL22551955 0.82 ADORA2A (0.83) ADORA2AADORA1ADORA2BRECQLLMNA

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 6 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
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-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

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

For each of this compound's patents that has machine-readable text (1 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-11571420-B2 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.

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