SCHEMBL5152649

SCHEMBL5152649

CC(C)n1nc(-c2nc(N3CC4CCC(C3)O4)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
PIK3CA P42336 4/20 0.34
ALDH1A1 P00352 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
FFAR2 O15552 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIA1 P42261 1/20 0.32
PIK3R1 P27986 1/20 0.32
HSD11B1 P28845 1/20 0.31
SLC5A1 P13866 1/20 0.31
TP53 P04637 1/20 0.31
NEK2 P51955 1/20 0.31

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) ADORA2AADORA1ALDH1A1HRH3MEN1
SCHEMBL5150685 0.83 HSD17B10 (0.42) ADORA2AADORA1ALDH1A1MEN1KMT2A
SCHEMBL5149031 0.83 ALDH1A1 (0.41) ADORA2AADORA1ALDH1A1HRH3MEN1
SCHEMBL5151145 0.83 MAPK8 (0.40) ADORA2AADORA1
SCHEMBL5149109 0.82 HRH4 (0.43) ADORA2AADORA1ALDH1A1
SCHEMBL5151108 0.82 HRH3 (0.39) ADORA2AADORA1HRH3MEN1KMT2A
SCHEMBL5147939 0.82 HRH3 (0.39) ADORA2AHRH3FFAR2GRIA1NEK2
SCHEMBL5150733 0.82 ATR (0.37) ADORA2AADORA1ALDH1A1
SCHEMBL5152918 0.81 HRH3 (0.44) ADORA2AADORA1ALDH1A1HRH3KMT2A
SCHEMBL5152563 0.80 ADORA2A (0.37) MTORADORA2AADORA1PIK3CAHSD11B1

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 MTOR 3056/4885ADORA2A 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.