SCHEMBL5149018

SCHEMBL5149018

CCCCNc1nc(-c2ccc(=O)n(C)n2)c(-c2ccccc2)nc1N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.46
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
ACP1 P24666 1/20 0.39
TLR7 Q9NYK1 5/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 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
SCHEMBL5152582 0.91 BRD4 (0.39) TLR8TLR7
SCHEMBL5149121 0.88 ADORA2A (0.40) TLR8ALDH1A1
SCHEMBL5147908 0.88 GSK3B (0.41) CYP1A2CYP3A4CYP2C19SMN1; SMN2TP53
SCHEMBL5150946 0.87 TLR8 (0.44) TLR8HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL5151060 0.87 ADORA2A (0.39) HSD17B10ALDH1A1KDM4EHPGDPOLB
SCHEMBL5149284 0.85 ADORA3 (0.43) ALDH1A1HPGDLMNATP53
SCHEMBL5149196 0.84 KAT2B (0.47) ALDH1A1ACP1CYP3A4
SCHEMBL5149223 0.83 HIF1A (0.47) CYP1A2
SCHEMBL5152508 0.82 TLR9 (0.48) ALDH1A1KDM4EHPGDPOLBACP1
SCHEMBL5149160 0.81 HIF1A (0.45) HSD17B10ALDH1A1KDM4EPOLBLMNA

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 TLR8 4659/4885HSD17B10 873/4885ALDH1A1 748/4885

“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.