SCHEMBL5152918

SCHEMBL5152918

CC(C)n1nc(-c2nc(N3CCN4CCCC4C3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
MAP4K4 O95819 1/20 0.35
NAMPT P43490 1/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC1 Q13547 1/20 0.33
MAP3K12 Q12852 1/20 0.33
HDAC4 P56524 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
SCHEMBL5152738 0.89 HRH3 (0.58) HRH3ADORA2AADORA1MAP4K4NAMPT
SCHEMBL5152699 0.84 MAPT (0.40) HRH3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL5149031 0.83 ALDH1A1 (0.41) HRH3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL5149109 0.82 HRH4 (0.43) ADORA2AADORA1ALDH1A1RAB9A
SCHEMBL5151108 0.82 HRH3 (0.39) HRH3ADORA2AADORA1KMT2A
SCHEMBL5151145 0.82 MAPK8 (0.40) ADORA2AADORA1MAP4K4
SCHEMBL5152649 0.81 MTOR (0.37) HRH3ADORA2AADORA1ALDH1A1KMT2A
SCHEMBL5147939 0.80 HRH3 (0.39) HRH3ADORA2AMAP4K4
SCHEMBL5150733 0.80 ATR (0.37) ADORA2AADORA1ALDH1A1
SCHEMBL5150685 0.80 HSD17B10 (0.42) ADORA2AADORA1KDM4EALDH1A1TSHR

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 2 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
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 HRH3 43/4885ADORA2A 1/4885ADORA1 3/4885

“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.