SCHEMBL4583296

SCHEMBL4583296

CC(C)n1cc(-c2nc(C(=O)N3CCC3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.45
ADORA1 P30542 2/20 0.45
HPGD P15428 3/20 0.39
CNR1 P21554 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLAU P00749 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KMT2A Q03164 1/20 0.38
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
ATR Q13535 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4583974 0.91 TSHR (0.43) ADORA2AADORA1HPGDCNR1SMN1; SMN2
SCHEMBL4584817 0.86 ADORA2A (0.51) ADORA2AADORA1PLAUPTGDR2BMPR1B
SCHEMBL4584151 0.85 ATR (0.43) ADORA2AADORA1HPGDPTGDR2BMPR1B
SCHEMBL4584074 0.85 ADORA2A (0.50) ADORA2AADORA1PLAUPTGDR2BMPR1B
SCHEMBL4584514 0.85 ADORA2A (0.50) ADORA2AADORA1PLAUPTGDR2BMPR1B
SCHEMBL4585332 0.83 ADORA2A (0.48) ADORA2AADORA1HPGDSMN1; SMN2PTGDR2
SCHEMBL4584769 0.82 ADORA2A (0.47) ADORA2AADORA1PTGDR2ATR
SCHEMBL4585043 0.82 ADORA2A (0.49) ADORA2AADORA1PLAUPTGDR2KMT2A
SCHEMBL4585169 0.81 ADORA2A (0.57) ADORA2AADORA1HPGDSMN1; SMN2PTGDR2
SCHEMBL4583361 0.80 ADORA2A (0.46) ADORA2AADORA1CNR1SMN1; SMN2KMT2A

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 3/4885HPGD 235/4885

“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.