SCHEMBL4584719

SCHEMBL4584719

Cn1cc(-c2ncc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.58
ADORA1 P30542 5/20 0.58
ADORA2B P29275 5/20 0.46
CREBBP Q92793 4/20 0.45
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
BRD4 O60885 4/20 0.43
DYRK1A Q13627 1/20 0.40
ADORA3 P0DMS8 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
SCHEMBL4585799 0.88 ADORA2A (0.75) ADORA2AADORA1ADORA2BCREBBPBRD4
SCHEMBL4586085 0.85 ADORA2A (0.79) ADORA2AADORA1ADORA2BCKS1BSKP1
SCHEMBL4584602 0.82 ADORA2A (0.48) ADORA2AADORA1ADORA2BCREBBPBRD4
SCHEMBL4584321 0.82 ADORA2A (0.68) ADORA2AADORA1ADORA2BDYRK1AADORA3
SCHEMBL28463384 0.80 ADORA2A (0.55) ADORA2AADORA1ADORA2BBRD4DYRK1A
SCHEMBL14656059 0.80 ADORA2A (0.61) ADORA2AADORA1ADORA2B
SCHEMBL29678556 0.79 ADORA2A (0.64) ADORA2AADORA1CKS1BSKP1SKP2
SCHEMBL2031287 0.79 ADORA2A (0.64) ADORA2AADORA1CKS1BSKP1SKP2
SCHEMBL5149060 0.77 ADORA2A (0.45) ADORA2AADORA1ADORA2BCKS1BSKP1
SCHEMBL27646771 0.77 ADORA2A (0.45) ADORA2AADORA1ADORA2BBRD4DYRK1A

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 ADORA2A 1/4885ADORA1 3/4885ADORA2B 5/4885

“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.