SCHEMBL5147989

SCHEMBL5147989

CC(C)n1nc(-c2nc(O)cnc2-c2ccccc2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
MERTK Q12866 1/20 0.37
POLB P06746 2/20 0.37
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD11B1 P28845 1/20 0.35
KMT2A Q03164 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
SCHEMBL5152896 0.95 TP53 (0.39) TP53MERTKPOLBCKS1BSKP1
SCHEMBL5147924 0.86 ADORA2A (0.49) TP53MERTKPOLBCKS1BSKP1
SCHEMBL5148995 0.83 ADORA2A (0.49) HRH3ADORA2AADORA1BMPR1BBMPR1A
SCHEMBL5149029 0.82 TP53 (0.44) TP53MERTKPOLBHRH3PDE1A
SCHEMBL5149067 0.81 ADORA2A (0.49) TP53MERTKPOLBCKS1BSKP1
SCHEMBL5149193 0.81 PDE1A (0.41) TP53POLBPDE1APDE1BPDE1C
SCHEMBL5147958 0.80 ADORA2A (0.39) TP53POLBPDE1APDE1BPDE1C
SCHEMBL6538770 0.80 TP53 (0.39) TP53MERTKPOLBHRH3PDE1A
SCHEMBL5149110 0.78 PDE1A (0.41) TP53POLBPDE1APDE1BPDE1C
SCHEMBL5152639 0.78 PLAU (0.40) TP53POLBADORA2AKDM4E

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 TP53 2221/4885MERTK 3461/4885POLB 2847/4885

“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.