SCHEMBL5149173

SCHEMBL5149173

CC(C)n1nc(-c2nc(NCCCc3ccccc3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.37
TLR8 Q9NR97 6/20 0.37
ADORA3 P0DMS8 1/20 0.36
PLAU P00749 1/20 0.36
TLR7 Q9NYK1 3/20 0.36
TP53 P04637 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
SCHEMBL5149119 0.95 GSK3B (0.39) ADORA3TP53
SCHEMBL5150946 0.91 TLR8 (0.44) TLR8TLR7TP53
SCHEMBL5149144 0.89 LDHA (0.39) ADORA3TP53
SCHEMBL5152582 0.87 BRD4 (0.39) TLR8ADORA3PLAUTLR7
SCHEMBL5152634 0.86 P2RX3 (0.37) TLR8TLR7TP53
SCHEMBL5149145 0.86 CALCA (0.39) TP53
SCHEMBL5149090 0.85 HIF1A (0.45) HTR7
SCHEMBL5147928 0.85 MEN1 (0.42) TP53
SCHEMBL5150823 0.83 KDM4E (0.39) TP53
SCHEMBL5152713 0.83 ACHE (0.43)

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-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 US 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 HTR7 88/4885TLR8 4659/4885ADORA3 4/4885

“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.