SCHEMBL5151108

SCHEMBL5151108

CC(C)n1nc(-c2nc(N3CCN(c4ccccc4)CC3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA2A P29274 4/20 0.36
ADORA1 P30542 4/20 0.36
MAPT P10636 1/20 0.36
DHFR P00374 6/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHEK1 O14757 1/20 0.34
MCOLN2 Q8IZK6 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAP4K1 Q92918 1/20 0.33

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
SCHEMBL5149109 0.92 HRH4 (0.43) NPSR1ADORA2AADORA1MAPTCHEK1
SCHEMBL5152699 0.92 MAPT (0.40) HRH3NPSR1ADORA2AADORA1MAPT
SCHEMBL5149198 0.92 SIRT1 (0.43) HRH3NPSR1ADORA2AADORA1MAPT
SCHEMBL5150685 0.91 HSD17B10 (0.42) NPSR1ADORA2AADORA1MAPTMEN1
SCHEMBL5149031 0.91 ALDH1A1 (0.41) HRH3NPSR1ADORA2AADORA1MAPT
SCHEMBL5150733 0.89 ATR (0.37) ADORA2AADORA1USP2ALOX15HSD17B10
SCHEMBL5152349 0.88 SMO (0.46) NPSR1ADORA2AADORA1MAPTABCG2
SCHEMBL5149290 0.88 LMNA (0.43) NPSR1MAPTDHFRMEN1KMT2A
SCHEMBL5149038 0.86 HRH3 (0.46) HRH3NPSR1ADORA2AADORA1MAPT
SCHEMBL5147939 0.85 HRH3 (0.39) HRH3ADORA2A

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 HRH3 43/4885NPSR1 116/4885ADORA2A 1/4885

“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.