SCHEMBL4584884

SCHEMBL4584884

CC(C)n1cc(-c2nc(C#N)c(N)nc2-c2cccc(F)c2)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.51
ADORA1 P30542 4/20 0.51
ADORA2B P29275 2/20 0.42
USP8 P40818 1/20 0.42
ATR Q13535 6/20 0.41
PIK3CD O00329 5/20 0.40
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
CHUK O15111 1/20 0.38

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
SCHEMBL4584757 0.89 ADORA2A (0.64) ADORA2AADORA1ADORA2BUSP8ATR
SCHEMBL4584196 0.88 ADORA2A (0.50) ADORA2AADORA1USP8ATRBMPR1B
SCHEMBL4585208 0.87 ADORA2A (0.50) ADORA2AADORA1USP8ATRPIK3CD
SCHEMBL4585119 0.85 ADORA2A (0.46) ADORA2AADORA1ADORA2BUSP8ATR
SCHEMBL4584141 0.84 USP8 (0.52) ADORA2AADORA1ADORA2BUSP8ATR
SCHEMBL4584782 0.83 ADORA2A (0.51) ADORA2AADORA1ADORA2BATRBMPR1B
SCHEMBL5152763 0.82 ADORA2A (0.42) ADORA2AADORA1ADORA2BUSP8PIK3CD
SCHEMBL4584767 0.81 ADORA2A (0.77) ADORA2AADORA1ADORA2BATRBMPR1B
SCHEMBL4584638 0.81 ADORA2A (0.51) ADORA2AADORA1ADORA2BATRBMPR1B
SCHEMBL4584195 0.81 ADORA1 (0.47) ADORA2AADORA1USP8ATRPIK3CD

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 5 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
EP-1678160-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF Astellas Pharma Inc. (JP) 2006-07-12 EP disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 US disclosed
WO-2005040151-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF ASTELLAS PHARMA INC. (JP) 2005-05-06 WO 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.