SCHEMBL5151087

SCHEMBL5151087

CC(C)n1nc(-c2nc(NC3CCN(Cc4ccccc4)C3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.43
ACHE P22303 5/20 0.42
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NTSR1 P30989 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 2/20 0.40
OPRK1 P41145 1/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BACE1 P56817 3/20 0.38

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
SCHEMBL5152286 0.95 ACHE (0.47) MALT1ACHEKMT2ALMNAMAPT
SCHEMBL5149276 0.89 ACHE (0.43) MALT1ACHEKMT2ALMNAMAPT
SCHEMBL5149259 0.84 ACHE (0.49) MALT1ACHEKMT2ALMNAMAPT
SCHEMBL5149214 0.82 MCHR1 (0.41) ROCK2SMN1; SMN2
SCHEMBL5148959 0.80 HRH3 (0.41) OPRK1DRD2DRD4ROCK2SMN1; SMN2
SCHEMBL5149127 0.79 ROCK1 (0.43) KDM4EROCK2BCHE
SCHEMBL5149144 0.79 LDHA (0.39) MAPTHTTKDM4ETP53TSHR
SCHEMBL5149119 0.77 GSK3B (0.39) ACHELMNAHTTKDM4EALDH1A1
SCHEMBL5149173 0.76 HTR7 (0.37) TP53
SCHEMBL5147973 0.76 LDHA (0.42) KMT2AMAPTNPSR1MEN1TP53

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 MALT1 4401/4885ACHE 33/4885KMT2A 1528/4885

“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.