SCHEMBL5455979

SCHEMBL5455979

NCCCNc1cc(-c2c(-c3ccc(F)cc3)nn3c(-c4ccnc(NCCCN)c4)cccc23)ccn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.44
KARS1 Q15046 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
SYK P43405 1/20 0.38
GRIA1 P42261 4/20 0.38
CACNG2 Q9Y698 1/20 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
SCHEMBL14592984 0.83 MAPK14 (0.56) MAPK14KARS1ADORA2AADORA2BADORA1
SCHEMBL14593153 0.81 MAPK14 (0.55) MAPK14ADORA2AADORA2BADORA1
SCHEMBL5460102 0.80 MAPK14 (0.58) MAPK14GRIA1
SCHEMBL5452090 0.80 MAPK14 (0.55) MAPK14ADORA2AADORA2BADORA1GRIA1
SCHEMBL5391074 0.79 MAPK14 (0.47) MAPK14KARS1ADORA2AADORA2BADORA1
SCHEMBL5875605 0.79 MAPK14 (0.56) MAPK14ADORA2AADORA2BADORA1GRIA1
SCHEMBL5463256 0.78 MAPK14 (0.60) MAPK14ADORA2AADORA2BADORA1GRIA1
SCHEMBL5378779 0.74 MAPK14 (0.56) MAPK14ADORA2AADORA2BADORA1
SCHEMBL5393581 0.74 MAPK14 (0.56) MAPK14ADORA2AADORA2BADORA1
SCHEMBL5382408 0.73 MAPK14 (0.55) MAPK14ADORA2AADORA2BADORA1

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 2533/4885KARS1 2629/4885ADORA2A 1286/4885

“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.