SCHEMBL5458519

SCHEMBL5458519

CN1CCCC1CCNc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.52
ADORA2A P29274 2/20 0.41
ADORA2B P29275 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
MAPK11 Q15759 2/20 0.39
RAD52 P43351 1/20 0.39
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNB3 Q05901 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL5448895 0.79 MAPK14 (0.61) MAPK14ADORA2AADORA2BADORA1EGFR
SCHEMBL5457248 0.76 MAPK14 (0.64) MAPK14ADORA2AADORA2BADORA1EGFR
SCHEMBL5457561 0.75 MAPK14 (0.71) MAPK14ADORA2AADORA2BADORA1EGFR
SCHEMBL5875533 0.70 MAPK14 (1.00) MAPK14ADORA2AADORA2BADORA1EGFR
SCHEMBL5452978 0.68 MAPK14 (0.72) MAPK14ADORA2AADORA2BADORA1EGFR
SCHEMBL5457469 0.68 MAPK14 (1.00) MAPK14ADORA2AADORA2BADORA1EGFR
SCHEMBL5458623 0.68 MAPK14 (0.72) MAPK14ADORA2AADORA2BADORA1EGFR
SCHEMBL5457302 0.67 MAPK14 (0.50) MAPK14EGFRRAF1CSNK1D
SCHEMBL5451210 0.67 MAPK14 (0.48) MAPK14EGFRRAF1CSNK1D
SCHEMBL5875504 0.67 MAPK14 (0.77) MAPK14ADORA2AADORA2BADORA1EGFR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP claimed
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-7163940-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-16 US disclosed
US-7163940-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-16 US disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP 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-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 MAPK14 2533/4885ADORA2A 1286/4885ADORA2B 1143/4885

“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.