SCHEMBL4584602

SCHEMBL4584602

Cn1cc(-c2ncc(N)nc2-c2cccs2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.48
ADORA1 P30542 8/20 0.48
ADORA2B P29275 4/20 0.42
MEN1 O00255 4/20 0.40
USP2 O75604 4/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
CASP1 P29466 4/20 0.40
CASP7 P55210 4/20 0.40
KMT2A Q03164 4/20 0.40
HIF1A Q16665 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CLK4 Q9HAZ1 2/20 0.40
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
BACE1 P56817 1/20 0.38
BRD4 O60885 1/20 0.38
FYN P06241 1/20 0.37

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
SCHEMBL4585503 0.87 ADORA2A (0.65) ADORA2AADORA1MEN1USP2CYP1A2
SCHEMBL4584719 0.82 ADORA2A (0.58) ADORA2AADORA1ADORA2BBRD4DYRK1A
SCHEMBL1553233 0.81 ADORA2A (0.62) ADORA2AADORA1ADORA2BMEN1USP2
SCHEMBL4585799 0.79 ADORA2A (0.75) ADORA2AADORA1ADORA2BCYP1A2CYP3A4
SCHEMBL4584034 0.78 ADORA2A (0.49) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL4584950 0.78 ADORA2A (0.49) ADORA2AADORA1ADORA2B
SCHEMBL4584321 0.78 ADORA2A (0.68) ADORA2AADORA1ADORA2BMEN1USP2
SCHEMBL28463384 0.76 ADORA2A (0.55) ADORA2AADORA1ADORA2BBRD4DYRK1A
SCHEMBL3053862 0.74 CYP3A4 (0.45) ADORA2AADORA1ADORA2BMEN1CYP1A2
SCHEMBL27646771 0.73 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.