SCHEMBL5151145

SCHEMBL5151145

CC(C)n1nc(-c2nc(N3CCC(N(C)C)C3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.40
BTK Q06187 2/20 0.40
MRGPRX2 Q96LB1 2/20 0.40
MAPK10 P53779 1/20 0.40
HTR1D P28221 2/20 0.38
HTR3A P46098 2/20 0.38
HTR6 P50406 2/20 0.38
TMEM97 Q5BJF2 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1B P28222 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ADRA1B P35368 1/20 0.38
MCHR1 Q99705 2/20 0.37
CHEK2 O96017 4/20 0.36
ATR Q13535 2/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
SYK P43405 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL5152699 0.84 MAPT (0.40) ADORA2AADORA1
SCHEMBL5147939 0.84 HRH3 (0.39) ADORA2AMAP4K4
SCHEMBL5149031 0.83 ALDH1A1 (0.41) ADORA2AADORA1
SCHEMBL5152649 0.83 MTOR (0.37) ADORA2AADORA1
SCHEMBL5152918 0.82 HRH3 (0.44) ADORA2AADORA1MAP4K4
SCHEMBL5149109 0.82 HRH4 (0.43) HTR3AATRADORA2AADORA1
SCHEMBL5151108 0.82 HRH3 (0.39) ADORA2AADORA1
SCHEMBL5150685 0.81 HSD17B10 (0.42) ATRADORA2AADORA1
SCHEMBL5150733 0.81 ATR (0.37) HTR6ATRADORA2AADORA1
SCHEMBL5152665 0.81 IRAK1 (0.40) BTKADORA2AADORA1RORC

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 MAPK8 4694/4885BTK 3734/4885MRGPRX2 1138/4885

“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.