SCHEMBL5149124

SCHEMBL5149124

Cn1nc(-c2nc(OCCc3ccccc3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
GSK3B P49841 1/20 0.41
BRD4 O60885 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ADORA2A P29274 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
BACE1 P56817 2/20 0.37
CNR2 P34972 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL5152617 0.96 PKM (0.41) PKMGSK3BBRD4ADORA2AHRH3
SCHEMBL5152669 0.89 PKM (0.51) PKMBRD4SMN1; SMN2ADORA2AADORA2B
SCHEMBL5147960 0.88 HRH3 (0.40) PKMBRD4ADORA2AHRH3ADORA2B
SCHEMBL5148981 0.88 ADORA2A (0.40) PKMBRD4ADORA2AHRH3ADORA2B
SCHEMBL5148946 0.87 SMN1; SMN2 (0.37) GSK3BSMN1; SMN2ADORA2AHRH3ADORA2B
SCHEMBL5148967 0.83 HRH3 (0.36) GSK3BADORA2AHRH3ADORA2BPDE4A
SCHEMBL5150911 0.82 MEN1 (0.49) ADORA2AHRH3ADORA2BADORA1KMT2A
SCHEMBL5150924 0.80 ADORA2A (0.41) PKMBRD4ADORA2AADORA2BADORA1
SCHEMBL5147984 0.79 BRD4 (0.43) PKMGSK3BBRD4SMN1; SMN2ADORA2A
SCHEMBL5152718 0.79 ADORA2A (0.43) ADORA2AADORA2BADORA1KMT2A

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-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 US disclosed
CN-1938296-A Pyrazine derivatives and pharmaceutical use thereof as adenosine antagonists ASTELLAS PHARMA INC (JP) 2007-03-28 CN disclosed
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-10-06 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-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, HTR5A, ADORA1 PKM 742/4885GSK3B 688/4885BRD4 2661/4885

“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.