SCHEMBL22552064

SCHEMBL22552064

CNc1ccc(F)c(CNC(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.39
HCAR3 P49019 1/20 0.36
ADORA1 P30542 4/20 0.35
ADORA3 P0DMS8 3/20 0.35
ADORA2B P29275 1/20 0.34
P2RX7 Q99572 4/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
MMP13 P45452 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
TRPV3 Q8NET8 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL29907501 0.80 KDM4A (0.41) KDM4ETRPV3
SCHEMBL22551972 0.80 KDM4A (0.41) KDM4ETRPV3
SCHEMBL22551971 0.78 ADORA2A (0.43) ADORA2AADORA1TRPV3
SCHEMBL26456159 0.76 NCF1 (0.41) P2RX7KCNH2SCN5A
SCHEMBL22551875 0.73 NCF1 (0.38) KCNH2SCN5A
SCHEMBL29907664 0.73 NCF1 (0.38) KCNH2SCN5A
SCHEMBL26126280 0.71 HCAR3 (0.44) HCAR3KDM4EMEN1KMT2A
SCHEMBL15076836 0.68 NCF1 (0.43) KCNH2SCN5A
SCHEMBL29658998 0.68 NCF1 (0.43) KCNH2SCN5A
SCHEMBL21730237 0.68 KDM4A (0.43) KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 1/4885HCAR3 177/4885ADORA1 3/4885
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885HCAR3 177/4885ADORA1 3/4885
US-11571420-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885HCAR3 177/4885ADORA1 3/4885
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885HCAR3 177/4885ADORA1 3/4885
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885HCAR3 177/4885ADORA1 3/4885

“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.