SCHEMBL4585211

SCHEMBL4585211

CC(C)n1cc(-c2nc(-c3ccco3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.48
ADORA1 P30542 6/20 0.48
ADORA2B P29275 3/20 0.45
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ATR Q13535 7/20 0.42
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 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
SCHEMBL4585169 0.87 ADORA2A (0.57) ADORA2AADORA1ADORA2BALDH1A1HPGD
SCHEMBL4584246 0.85 ADORA2A (0.44) ADORA2AADORA1ADORA2BMEN1ALDH1A1
SCHEMBL5149233 0.83 ADORA2A (0.40) ADORA2AADORA1ADORA2BMEN1ALDH1A1
SCHEMBL4585090 0.83 ADORA2A (0.44) ADORA2AADORA1ADORA2BMEN1ALDH1A1
SCHEMBL4583017 0.81 ADORA2A (0.54) ADORA2AADORA1ADORA2BATRBMPR1B
SCHEMBL4584869 0.81 ADORA2A (0.64) ADORA2AADORA1ADORA2BMEN1ALDH1A1
SCHEMBL4584952 0.80 ADORA2A (0.51) ADORA2AADORA1ADORA2BATRBMPR1B
SCHEMBL4584746 0.80 ADORA2A (0.55) ADORA2AADORA1ADORA2BATRBMPR1B
SCHEMBL4584518 0.80 ADORA2A (0.53) ADORA2AADORA1ADORA2BATRPIK3CA
SCHEMBL5149132 0.79 ADORA2A (0.44) ADORA2AADORA1ADORA2BMEN1ALDH1A1

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.