SCHEMBL22552044

SCHEMBL22552044

COC(=O)c1nc(Br)c(-n2nccn2)nc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HCRTR2 O43614 1/20 0.35
▸ KDM4E B2RXH2 6/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ RET P07949 1/20 0.35
▸ MET P08581 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ LTK P29376 1/20 0.35
▸ GRK5 P34947 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MAPK8 P45983 1/20 0.35

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
SCHEMBL17768876 0.83 NPSR1 (0.41) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL22551928 0.82 NPSR1 (0.40) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL28353230 0.78 NPSR1 (0.54) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14891967 0.77 PLAU (0.53) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL30206694 0.74 NPSR1 (0.48) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6617911 0.74 NPSR1 (0.48) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL10321291 0.72 NPSR1 (0.47) NPSR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL20773385 0.71 HCRTR2 (0.42) NPSR1HCRTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL29424930 0.70 NPSR1 (0.40) NPSR1HCRTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL22288673 0.70 NPSR1 (0.40) NPSR1HCRTR2KDM4EALDH1A1SMN1; SMN2

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 12 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-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
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
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 NPSR1 201/4885HCRTR2 1525/4885KDM4E 4220/4885
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 NPSR1 201/4885HCRTR2 1525/4885KDM4E 4220/4885
US-11571420-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 NPSR1 201/4885HCRTR2 1525/4885KDM4E 4220/4885
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 NPSR1 201/4885HCRTR2 1525/4885KDM4E 4220/4885
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 NPSR1 201/4885HCRTR2 1525/4885KDM4E 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.

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