SCHEMBL5147973

SCHEMBL5147973

CC(C)n1nc(-c2nc(NCC3CCCCC3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
HIF1A Q16665 2/20 0.41
APP P05067 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
GBA1 P04062 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
CTSK P43235 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
TP53 P04637 2/20 0.34
MDM2 Q00987 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDE5A O76074 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GNA11 P29992 1/20 0.33
GNAQ P50148 1/20 0.33
CKS1B P61024 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
SCHEMBL5147909 0.86 KMT2A (0.39) ADORA3GBA1TP53MEN1KMT2A
SCHEMBL5152713 0.83 ACHE (0.43) MEN1KMT2AMAPT
SCHEMBL5149144 0.83 LDHA (0.39) LDHALDHBHIF1AADORA3TP53
SCHEMBL5149119 0.81 GSK3B (0.39) HIF1AAPPADORA3TP53PDE5A
SCHEMBL5150823 0.81 KDM4E (0.39) LDHAHIF1ATP53MAPT
SCHEMBL5150946 0.81 TLR8 (0.44) TP53MAPT
SCHEMBL5149173 0.80 HTR7 (0.37) ADORA3TP53
SCHEMBL5149145 0.80 CALCA (0.39) TP53MEN1KMT2A
SCHEMBL5152634 0.80 P2RX3 (0.37) TP53MEN1KMT2AMAPTRAB9A
SCHEMBL5152832 0.80 MERTK (0.41) LDHAHIF1ATP53MEN1KMT2A

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 LDHA 501/4885LDHB 759/4885HIF1A 416/4885

“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.