SCHEMBL6134282

SCHEMBL6134282

Cn1nc(-c2cnc(N)nc2-c2cccs2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.43
ADORA1 P30542 3/20 0.43
JUN P05412 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 7/20 0.39
USP2 O75604 6/20 0.39
CASP1 P29466 6/20 0.39
CASP7 P55210 6/20 0.39
HIF1A Q16665 6/20 0.39
CYP3A4 P08684 6/20 0.39
CYP2C9 P11712 6/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
HSD17B10 Q99714 5/20 0.39
CLK4 Q9HAZ1 2/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL6133647 0.85 ADORA2A (0.43) ADORA2AADORA1JUNNFKB1NFKB2
SCHEMBL6133471 0.81 ADORA1 (0.50) ADORA2AADORA1KMT2AADORA2B
SCHEMBL1553233 0.79 ADORA2A (0.62) ADORA2AADORA1JUNNFKB1NFKB2
SCHEMBL6134665 0.79 ADORA1 (0.39) ADORA2AADORA1KMT2AADORA2BGAA
SCHEMBL6133988 0.79 ADORA2A (0.40) ADORA2AADORA1ALDH1A1KDM4EADORA2B
SCHEMBL6134686 0.78 GFER (0.43) ADORA2AADORA1KMT2AADORA2BGAA
SCHEMBL6134042 0.78 ADORA2A (0.39) ADORA2AADORA1ALDH1A1KDM4ECASP1
SCHEMBL6133620 0.77 ADORA1 (0.52) ADORA2AADORA1MEN1KMT2AADORA2B
SCHEMBL6134537 0.77 RPS6KA3 (0.48) ADORA2AADORA1KMT2AADORA2B
SCHEMBL6134083 0.77 ADORA2A (0.65) ADORA2AADORA1ALDH1A1KDM4ECYP1A2

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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 WO 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885JUN 4254/4885

“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.