SCHEMBL5149012

SCHEMBL5149012

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
ADORA2A P29274 2/20 0.34
HDAC1 Q13547 3/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
POLB P06746 1/20 0.33
CSNK1E P49674 1/20 0.33
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
FGFR3 P22607 2/20 0.33
LMNA P02545 2/20 0.33
RET P07949 2/20 0.33
SRC P12931 2/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
PIK3CA P42336 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
SCHEMBL5147958 0.87 ADORA2A (0.39) TP53ADORA2APDE1APDE1BPDE1C
SCHEMBL5148994 0.85 BRD4 (0.39) TP53CKS1BSKP1SKP2ADORA2A
SCHEMBL5149110 0.85 PDE1A (0.41) TP53ADORA2APDE1APDE1BPDE1C
SCHEMBL6482611 0.84 HIF1A (0.38) ADORA2APDE1APDE1BPDE1CPOLB
SCHEMBL5149057 0.84 TP53 (0.36) TP53ADORA2AHDAC1PDE1APDE1B
SCHEMBL5148960 0.84 POLB (0.39) TP53ADORA2APDE1APDE1BPDE1C
SCHEMBL5150753 0.84 ADORA2A (0.38) TP53ADORA2APDE1APDE1BPDE1C
SCHEMBL5149086 0.82 ADORA2A (0.36) TP53ADORA2APDE1APDE1BPDE1C
SCHEMBL5150959 0.82 FGFR1 (0.39) TP53ADORA2APDE1APDE1BPDE1C
SCHEMBL5149001 0.82 MEN1 (0.36) TP53ADORA2APDE1APDE1BPDE1C

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 5 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
EP-1737841-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF AS ADENOSINE ANTAGONISTS Astellas Pharma Inc. (JP) 2007-01-03 EP disclosed
WO-2005095384-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF AS ADENOSINE ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-10-13 WO 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 TP53 2221/4885CKS1B 3094/4885SKP1 2006/4885

“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.