SCHEMBL4584451

SCHEMBL4584451

COc1cccc(-c2nc(N)c(C(N)=O)nc2-c2ccc(=O)n(C(C)C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.47
RIPK2 O43353 1/20 0.44
LRRK2 Q5S007 1/20 0.43
BRD4 O60885 1/20 0.43
CHEK2 O96017 1/20 0.42
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CG P48736 2/20 0.42
SRC P12931 3/20 0.41
PIK3CD O00329 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
HCK P08631 1/20 0.41
KDR P35968 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
EPHB4 P54760 1/20 0.41

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
SCHEMBL4585100 0.92 KMT2A (0.44) IKBKBRIPK2BRD4ADORA2AADORA1
SCHEMBL4584948 0.89 ADORA2A (0.47) IKBKBADORA2AADORA1PIK3CGSRC
SCHEMBL4584974 0.88 IRAK4 (0.44) ADORA2AADORA1IRAK4
SCHEMBL4584074 0.86 ADORA2A (0.50) ADORA2AADORA1
SCHEMBL4584782 0.85 ADORA2A (0.51) LRRK2CHEK2ADORA2AADORA1
SCHEMBL4583872 0.85 IKBKB (0.44) IKBKBADORA2AADORA1RAB9ALMNA
SCHEMBL4585119 0.84 ADORA2A (0.46) BRD4ADORA2AADORA1RAB9ASMN1; SMN2
SCHEMBL4583807 0.84 ADORA2A (0.44) IKBKBLRRK2ADORA2AADORA1SMN1; SMN2
SCHEMBL4585542 0.82 ADORA2A (0.64) BRD4ADORA2AADORA1PIK3CGSRC
SCHEMBL4583849 0.82 ADORA2A (0.54) ADORA2AADORA1ADORA3

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 IKBKB 3409/4885RIPK2 3640/4885LRRK2 629/4885

“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.