SCHEMBL5149284

SCHEMBL5149284

Cn1nc(-c2nc(NCc3ccccc3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.43
ADORA1 P30542 3/20 0.43
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
BRD4 O60885 2/20 0.41
ADORA2A P29274 1/20 0.40
CDK1 P06493 1/20 0.38
HIF1A Q16665 1/20 0.38
PKM P14618 1/20 0.38
BCDIN3D Q7Z5W3 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 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
SCHEMBL5148003 0.91 HIF1A (0.46) HIF1AMAPTTP53RXFP1HPGD
SCHEMBL5147908 0.89 GSK3B (0.41) BRD4ADORA2AHIF1APKMTP53
SCHEMBL5152582 0.89 BRD4 (0.39) ADORA3ADORA1BRD4ADORA2A
SCHEMBL5149160 0.87 HIF1A (0.45) ADORA1ADORA2AHIF1AMAPTLMNA
SCHEMBL5149144 0.86 LDHA (0.39) ADORA3ADORA1LDHALDHBCDK1
SCHEMBL5149121 0.86 ADORA2A (0.40) ADORA1BRD4ADORA2AMAPTALDH1A1
SCHEMBL5148992 0.86 ADORA2A (0.42) ADORA2APKMMAPTLMNAHPGD
SCHEMBL5149018 0.85 TLR8 (0.46) TP53LMNAHPGDALDH1A1
SCHEMBL6494839 0.85 HIF1A (0.41) ADORA2AHIF1AMAPTTP53RXFP1
SCHEMBL5151060 0.84 ADORA2A (0.39) ADORA2ABCDIN3DMAPTTP53LMNA

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 ADORA3 4/4885ADORA1 3/4885LDHA 501/4885

“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.