SCHEMBL4585332

SCHEMBL4585332

COC(=O)c1nc(-c2ccc(=O)n(C(C)C)c2)c(-c2ccccc2)nc1N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.48
ADORA1 P30542 1/20 0.48
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ERCC1 P07992 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 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
SCHEMBL4584817 0.90 ADORA2A (0.51) ADORA2AADORA1PTGDR2
SCHEMBL4584514 0.88 ADORA2A (0.50) ADORA2AADORA1PTGDR2
SCHEMBL4584074 0.88 ADORA2A (0.50) ADORA2AADORA1PTGDR2
SCHEMBL4584769 0.88 ADORA2A (0.47) ADORA2AADORA1PTGDR2
SCHEMBL4585108 0.86 ADORA2A (0.46) ADORA2AADORA1PTGDR2
SCHEMBL4585043 0.85 ADORA2A (0.49) ADORA2AADORA1PTGDR2
SCHEMBL4585169 0.84 ADORA2A (0.57) ADORA2AADORA1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4586459 0.83 ADORA2A (0.47) ADORA2AADORA1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4583361 0.83 ADORA2A (0.46) ADORA2AADORA1SMN1; SMN2NPC1RAB9A
SCHEMBL4585113 0.83 ADORA2A (0.49) ADORA2AADORA1

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 3/4885ALDH1A1 710/4885

“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.