SCHEMBL5149236

SCHEMBL5149236

CC(C)n1nc(-c2nc(-n3ccnc3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 6/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
USP2 O75604 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TP53 P04637 3/20 0.34
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 9/20 0.33
CYP3A4 P08684 9/20 0.33
CLK4 Q9HAZ1 5/20 0.33
ADORA2A P29274 2/20 0.33
HIF1A Q16665 1/20 0.33
CYP2D6 P10635 6/20 0.33
CYP2C19 P33261 6/20 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
SCHEMBL5152563 0.89 ADORA2A (0.37) NPC1TP53ADORA2AADORA1
SCHEMBL5150738 0.87 CYP11B1 (0.38) TSHRLMNAMEN1KMT2AUSP2
SCHEMBL5152752 0.84 ADORA2A (0.37) NPSR1TP53ADORA2AMAPK1ALDH1A1
SCHEMBL6134772 0.83 ADORA2A (0.38) TSHRHSD17B10NPC1LMNAMEN1
SCHEMBL5149138 0.82 LMNA (0.39) LMNATP53ADORA2AALDH1A1
SCHEMBL5149110 0.82 PDE1A (0.41) NPC1LMNAMEN1KMT2ATDP1
SCHEMBL5147958 0.81 ADORA2A (0.39) TSHRHSD17B10LMNATDP1TP53
SCHEMBL5149086 0.81 ADORA2A (0.36) TP53CLK4ADORA2AADORA1
SCHEMBL5152699 0.81 MAPT (0.40) TSHRHSD17B10LMNAMEN1KMT2A
SCHEMBL5149031 0.80 ALDH1A1 (0.41) TSHRHSD17B10LMNAMEN1KMT2A

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 TSHR 1058/4885HSD17B10 873/4885NPC1 1692/4885

“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.