SCHEMBL5671102

SCHEMBL5671102

O=S(=O)(c1ccccc1)c1ccc(-c2c(-c3ccc(F)cc3)nn3ccncc23)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.50
EGFR P00533 1/20 0.50
RAF1 P04049 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
GSK3B P49841 1/20 0.50
PTGS2 P35354 4/20 0.42
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2A P28223 2/20 0.38
KCNH2 Q12809 2/20 0.38

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
SCHEMBL5673928 0.94 MAPK14 (0.40) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5673361 0.88 ADORA2A (0.36) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL7373754 0.78 IGF1R (0.39) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL7364009 0.72 LMNA (0.37) PTGS2LMNAPTGS1KCNH2
SCHEMBL5671138 0.70 MAPK14 (0.48) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5673943 0.70 KDR (0.42) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5671107 0.70 MAPK14 (0.47) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL7069412 0.69 ADORA1 (0.49) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5672313 0.68 ADORA2A (0.50) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5671842 0.68 MAPK14 (0.46) MAPK14EGFRRAF1ADORA3ADORA2A

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 2567/4885EGFR 3996/4885RAF1 1023/4885

“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.