SCHEMBL5670985

SCHEMBL5670985

O=c1ccc(-c2c(-c3ccccc3)nn3ccncc23)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
MAPK14 Q16539 2/20 0.41
ADORA1 P30542 2/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
GSK3B P49841 1/20 0.41
AKT1 P31749 3/20 0.37
IGF1R P08069 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKT2 P31751 1/20 0.35
AOC3 Q16853 1/20 0.34
GRIA1 P42261 3/20 0.33
MAT2A P31153 1/20 0.33
MEN1 O00255 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
SCHEMBL5671138 0.89 MAPK14 (0.48) ADORA2AADORA2BMAPK14ADORA1EGFR
SCHEMBL5671032 0.85 PIM1 (0.40) ADORA2AADORA2BMAPK14ADORA1EGFR
SCHEMBL8809654 0.85 AKT1 (0.51) ADORA2AADORA2BMAPK14ADORA1EGFR
SCHEMBL7583881 0.81 BRD4 (0.40) ADORA2AADORA2BMAPK14ADORA1EGFR
SCHEMBL7369957 0.80 PDE3A (0.48) ADORA2AADORA2BMAPK14ADORA1EGFR
SCHEMBL5671169 0.77 ADORA2A (0.40) ADORA2AADORA2BMAPK14ADORA1EGFR
SCHEMBL5671819 0.75 ADORA2A (0.45) ADORA2AADORA2BMAPK14ADORA1EGFR
SCHEMBL5673482 0.75 CREBBP (0.44) ADORA2AADORA2BMAPK14ADORA1EGFR
SCHEMBL5671140 0.73 GRM2 (0.42) ADORA2AADORA2BMAPK14ADORA1EGFR
SCHEMBL7373031 0.72 ADORA1 (0.48) ADORA2AADORA2BMAPK14ADORA1EGFR

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-7030121-B2 Pyrazolopyrazine compound and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2006-04-18 US disclosed
US-20040152706-A1 Pyrazolopyrazine compound pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2004-08-05 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-20040152706-A1 Pyrazolopyrazine compound pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 ADORA2A 1/4885ADORA2B 5/4885MAPK14 2567/4885

“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.