SCHEMBL4584151

SCHEMBL4584151

COC1CN(C(=O)c2nc(-c3ccc(=O)n(C(C)C)c3)c(-c3ccccc3)nc2N)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.43
ADORA2A P29274 10/20 0.41
ADORA1 P30542 2/20 0.41
HPGD P15428 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
CDK19 Q9BWU1 2/20 0.37
GABRA5 P31644 1/20 0.37
RIPK1 Q13546 1/20 0.36
ADORA2B P29275 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35

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
SCHEMBL4583296 0.85 ADORA2A (0.45) ATRADORA2AADORA1HPGDPTGDR2
SCHEMBL4585332 0.83 ADORA2A (0.48) ADORA2AADORA1HPGDPTGDR2
SCHEMBL4583974 0.83 TSHR (0.43) ATRADORA2AADORA1HPGD
SCHEMBL4584817 0.81 ADORA2A (0.51) ATRADORA2AADORA1PTGDR2BMPR1B
SCHEMBL4584514 0.81 ADORA2A (0.50) ATRADORA2AADORA1CDK8PTGDR2
SCHEMBL4584074 0.81 ADORA2A (0.50) ATRADORA2AADORA1PTGDR2BMPR1B
SCHEMBL4585108 0.79 ADORA2A (0.46) ATRADORA2AADORA1PTGDR2BMPR1B
SCHEMBL4585043 0.78 ADORA2A (0.49) ATRADORA2AADORA1PTGDR2BMPR1B
SCHEMBL4584769 0.78 ADORA2A (0.47) ATRADORA2AADORA1ADORA2BPTGDR2
SCHEMBL4583361 0.78 ADORA2A (0.46) ATRADORA2AADORA1ACVR1

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 2 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
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 ATR 3727/4885ADORA2A 1/4885ADORA1 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.