SCHEMBL5671107

SCHEMBL5671107

Cn1cc(-c2c(-c3ccc(F)cc3)nn3ccncc23)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.47
ADORA2A P29274 8/20 0.47
ADORA2B P29275 8/20 0.47
ADORA1 P30542 7/20 0.47
ADORA3 P0DMS8 2/20 0.47
EGFR P00533 1/20 0.47
RAF1 P04049 1/20 0.47
GSK3B P49841 1/20 0.47
CSNK1A1 P48729 2/20 0.46
CSNK1D P48730 2/20 0.46
CSNK1E P49674 1/20 0.46
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.42
GRIA1 P42261 1/20 0.40

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
SCHEMBL5671169 0.89 ADORA2A (0.40) MAPK14ADORA2AADORA2BADORA1ADORA3
SCHEMBL5671842 0.86 MAPK14 (0.46) MAPK14ADORA2AADORA2BADORA1ADORA3
SCHEMBL5672313 0.86 ADORA2A (0.50) MAPK14ADORA2AADORA2BADORA1ADORA3
SCHEMBL5672358 0.86 MAPK14 (0.46) MAPK14ADORA2AADORA2BADORA1ADORA3
SCHEMBL5673357 0.84 ADORA2A (0.41) MAPK14ADORA2AADORA2BADORA1ADORA3
SCHEMBL7362751 0.78 MAPK14 (0.42) MAPK14ADORA2AADORA2BADORA1ADORA3
SCHEMBL5671138 0.78 MAPK14 (0.48) MAPK14ADORA2AADORA2BADORA1ADORA3
SCHEMBL5671819 0.76 ADORA2A (0.45) MAPK14ADORA2AADORA2BADORA1ADORA3
SCHEMBL5673482 0.76 CREBBP (0.44) MAPK14ADORA2AADORA2BADORA1ADORA3
SCHEMBL5671140 0.76 GRM2 (0.42) MAPK14ADORA2AADORA2BADORA1ADORA3

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 MAPK14 2567/4885ADORA2A 1/4885ADORA2B 5/4885

“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.