SCHEMBL4585322

SCHEMBL4585322

CC(C)n1cc(-c2nc(Br)c(N)nc2-c2ccccc2)cc(Br)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.42
ATR Q13535 5/20 0.42
ADORA1 P30542 5/20 0.37
XDH P47989 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
NR1I2 O75469 1/20 0.34
EGFR P00533 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGS2 P35354 1/20 0.34
OPRD1 P41143 1/20 0.34
PDE4D Q08499 1/20 0.34
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4584746 0.84 ADORA2A (0.55) ADORA2AATRADORA1XDHADORA3
SCHEMBL4585023 0.76 ADORA2A (0.54) ADORA2AADORA1XDHNR1I2EGFR
SCHEMBL22250651 0.76 ADORA2A (0.56) ADORA2AATRADORA1KDM5BNR1I2
SCHEMBL4585169 0.73 ADORA2A (0.57) ADORA2AATRADORA1ADORA3PDE4D
SCHEMBL28441409 0.73 MAP4K4 (0.42) ADORA2AATRADORA1ADORA3BMPR1B
SCHEMBL5150753 0.71 ADORA2A (0.38) ADORA2AADORA1XDHEGFRBMPR1B
SCHEMBL6538961 0.71 ADORA2A (0.64) ADORA2AADORA1XDHADORA3KDM4E
SCHEMBL4583017 0.70 ADORA2A (0.54) ADORA2AATRADORA1XDHNR1I2
SCHEMBL22246391 0.70 ADORA2A (0.80) ADORA2AATRADORA1KDM5BNR1I2
SCHEMBL28434691 0.69 CYP11B1 (0.42) KDM5BBMPR1BBMPR1ATGFBR1ACVRL1

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 1/4885ATR 3727/4885ADORA1 3/4885

“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.