SCHEMBL5149145

SCHEMBL5149145

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALCA P06881 1/20 0.39
ATR Q13535 2/20 0.39
KAT2B Q92831 3/20 0.38
TLR9 Q9NR96 1/20 0.37
ACP1 P24666 1/20 0.37
MAT2A P31153 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC1 Q13547 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC2A1 P11166 1/20 0.35
TP53 P04637 1/20 0.35
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL5150946 0.87 TLR8 (0.44) ACP1KDM4ETP53
SCHEMBL5149119 0.87 GSK3B (0.39) KDM4ETP53
SCHEMBL5149173 0.86 HTR7 (0.37) TP53
SCHEMBL5152634 0.86 P2RX3 (0.37) KDM4EMEN1KMT2ATP53F7
SCHEMBL5150823 0.85 KDM4E (0.39) ATRKDM4ETP53F7F3
SCHEMBL5149144 0.85 LDHA (0.39) ATRKDM4ETP53
SCHEMBL5147928 0.85 MEN1 (0.42) KDM4EMEN1KMT2ATP53
SCHEMBL6134030 0.84 CALCA (0.43) CALCAKAT2BTLR9ACP1
SCHEMBL5149090 0.83 HIF1A (0.45) TLR9ACP1
SCHEMBL5152713 0.83 ACHE (0.43) KAT2BTLR9ACP1MEN1KMT2A

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 CALCA 2493/4885ATR 2780/4885KAT2B 670/4885

“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.