SCHEMBL5149276

SCHEMBL5149276

Cn1nc(-c2nc(NC3CCN(Cc4ccccc4)C3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.43
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NTSR1 P30989 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
KAT2B Q92831 5/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
OPRK1 P41145 1/20 0.41
EHMT2 Q96KQ7 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL5149259 0.95 ACHE (0.49) ACHEKMT2ALMNAMAPTNTSR1
SCHEMBL5151087 0.89 MALT1 (0.43) ACHECYP3A4KMT2ALMNAMAPT
SCHEMBL5152286 0.84 ACHE (0.47) ACHEKMT2ALMNAMAPTNTSR1
SCHEMBL5149179 0.79 SMN1; SMN2 (0.42) OPRK1DRD2DRD4
SCHEMBL5149284 0.77 ADORA3 (0.43) LMNAMAPTHTTALDH1A1TP53
SCHEMBL5147908 0.76 GSK3B (0.41) CYP3A4TP53BACE1
SCHEMBL5152582 0.75 BRD4 (0.39)
SCHEMBL5149196 0.75 KAT2B (0.47) ACHECYP3A4KMT2AMAPTKAT2B
SCHEMBL27659533 0.74 BRD4 (0.40) MAPTHTTKDM4EALDH1A1
SCHEMBL5152508 0.73 TLR9 (0.48) ACHECYP3A4KMT2ALMNAHTT

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 ACHE 33/4885CYP3A4 994/4885KMT2A 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.