SCHEMBL29906770

SCHEMBL29906770

COc1cc(F)ccc1CNC(=O)c1nc(-c2cc(C)nc(C)c2)c(-c2ccc(F)cc2)nc1N

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.74
▸ ADORA1 P30542 7/20 0.74
▸ ADORA2B P29275 2/20 0.74
▸ MAPK1 P28482 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CFTR P13569 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL21730314 1.00 ADORA2A (0.74) ADORA2AADORA1ADORA2BMAPK1LMNA
SCHEMBL29906732 0.93 ADORA2A (0.73) ADORA2AADORA1ADORA2BLMNATP53
SCHEMBL22551834 0.93 ADORA2A (0.73) ADORA2AADORA1ADORA2BLMNATP53
SCHEMBL22551955 0.92 ADORA2A (0.83) ADORA2AADORA1ADORA2BLMNATP53
SCHEMBL29906692 0.92 ADORA2A (0.83) ADORA2AADORA1ADORA2BLMNATP53
SCHEMBL22552049 0.88 ADORA2A (0.76) ADORA2AADORA1ADORA2BLMNATP53
SCHEMBL21730167 0.87 ADORA2A (0.57) ADORA2AADORA1ADORA2BMAPK1LMNA
SCHEMBL29906736 0.86 ADORA2A (0.74) ADORA2AADORA1ADORA2BLMNATP53
SCHEMBL22552134 0.86 ADORA2A (0.74) ADORA2AADORA1ADORA2BLMNATP53
SCHEMBL21722334 0.85 ADORA2A (1.00) ADORA2AADORA1ADORA2BMAPK1LMNA

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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