SCHEMBL22551820

SCHEMBL22551820

COC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ccc(F)c(F)c2)nc1N

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.55
ADORA1 P30542 14/20 0.55
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
TGFBR1 P36897 3/20 0.42
TGFBR2 P37173 2/20 0.42
GRM2 Q14416 1/20 0.40
ADORA2B P29275 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL22551938 0.90 ADORA2A (0.52) ADORA2AADORA1TGFBR1TGFBR2GRM2
SCHEMBL22551880 0.90 ADORA2A (0.63) ADORA2AADORA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL21730333 0.88 ADORA2A (0.54) ADORA2AADORA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL30880840 0.87 ADORA2A (0.58) ADORA2AADORA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22552091 0.87 ADORA2A (0.58) ADORA2AADORA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22551984 0.82 ADORA2A (0.56) ADORA2AADORA1TGFBR1TGFBR2
SCHEMBL30880750 0.82 ADORA2A (0.56) ADORA2AADORA1TGFBR1TGFBR2
SCHEMBL22551951 0.82 ADORA2A (0.80) ADORA2AADORA1ADORA2B
SCHEMBL22551956 0.81 ADORA2A (0.54) ADORA2AADORA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22551965 0.79 ADORA2A (0.45) ADORA2AADORA1TGFBR1TGFBR2GRM2

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 11 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
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 3/4885KDM4E 4220/4885
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885KDM4E 4220/4885
US-11571420-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885KDM4E 4220/4885
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885KDM4E 4220/4885
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885KDM4E 4220/4885

“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.