SCHEMBL4585799

SCHEMBL4585799

Cn1cc(-c2ncc(N)nc2-c2ccc(F)cc2)ccc1=O

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.75
ADORA1 P30542 11/20 0.75
BRD4 O60885 1/20 0.54
ADORA2B P29275 9/20 0.46
CREBBP Q92793 1/20 0.46
ADORA3 P0DMS8 2/20 0.44
MAPK1 P28482 1/20 0.41
NPY5R Q15761 1/20 0.40
DYRK1A Q13627 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
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
SCHEMBL4584719 0.88 ADORA2A (0.58) ADORA2AADORA1BRD4ADORA2BCREBBP
SCHEMBL4584418 0.86 ADORA2A (1.00) ADORA2AADORA1BRD4ADORA2BADORA3
SCHEMBL29443963 0.86 ADORA2A (1.00) ADORA2AADORA1BRD4ADORA2BADORA3
SCHEMBL29907659 0.83 ADORA2A (0.56) ADORA2AADORA1BRD4ADORA2BCREBBP
SCHEMBL12077150 0.81 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3
SCHEMBL28463384 0.79 ADORA2A (0.55) ADORA2AADORA1BRD4ADORA2BADORA3
SCHEMBL4584602 0.79 ADORA2A (0.48) ADORA2AADORA1BRD4ADORA2BCREBBP
SCHEMBL4584321 0.79 ADORA2A (0.68) ADORA2AADORA1ADORA2BADORA3DYRK1A
SCHEMBL4584161 0.77 ADORA2A (0.84) ADORA2AADORA1ADORA2BADORA3NPY5R
SCHEMBL21722596 0.77 ADORA2A (0.63) ADORA2AADORA1BRD4ADORA2BCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ADORA2A 1/4885ADORA1 3/4885BRD4 3462/4885

“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.