SCHEMBL4584605

SCHEMBL4584605

CC(C)n1cc(-c2nc(C(N)=O)c(N)nc2-c2ccccc2OC(F)(F)F)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.43
ADORA2A P29274 3/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2B P29275 1/20 0.43
USP1 O94782 1/20 0.43
WDR48 Q8TAF3 1/20 0.43
LRRK2 Q5S007 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL4583807 0.89 ADORA2A (0.44) ADORA2AADORA1LRRK2
SCHEMBL4585198 0.85 ADORA2A (0.47) SCN9AADORA2AADORA1ADORA2B
SCHEMBL4585042 0.84 ADORA2A (0.47) ADORA2AADORA1ADORA2BUSP1WDR48
SCHEMBL4584974 0.84 IRAK4 (0.44) SCN9AADORA2AADORA1ADORA2B
SCHEMBL4585798 0.83 ADORA2A (0.43) ADORA2AADORA1USP1WDR48
SCHEMBL4585752 0.82 ADORA2A (0.43) ADORA2AADORA1USP1WDR48LRRK2
SCHEMBL4584074 0.82 ADORA2A (0.50) ADORA2AADORA1
SCHEMBL4584900 0.82 ADORA2A (0.44) ADORA2AADORA1
SCHEMBL4584010 0.81 ADORA2A (0.64) ADORA2AADORA1ADORA2B
SCHEMBL4586478 0.81 ADORA2A (0.46) ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407961-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2008-08-05 US disclosed
CN-1871231-A Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC (JP) 2006-11-29 CN disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 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 (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-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 SCN9A 1157/4885ADORA2A 1/4885ADORA1 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.