SCHEMBL5452938

SCHEMBL5452938

CCCCNc1cccc2c(-c3ccnc(NCc4ccccn4)n3)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
GSK3B P49841 7/20 0.43
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AXL P30530 1/20 0.37

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
SCHEMBL5457524 0.92 GSK3B (0.46) MAPK14GSK3BAXL
SCHEMBL5460142 0.90 GSK3B (0.45) MAPK14GSK3BAXL
SCHEMBL5464066 0.87 GSK3B (0.43) MAPK14GSK3BAXL
SCHEMBL5452168 0.86 GSK3B (0.45) MAPK14GSK3BAXL
SCHEMBL5452160 0.86 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5457474 0.86 GSK3B (0.49) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6107018 0.85 GSK3B (0.44) GSK3BALDH1A1
SCHEMBL5460085 0.84 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5451180 0.84 KDR (0.49) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5455146 0.84 MAPK14 (0.43) MAPK14GSK3BAXL

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 2533/4885MAPK13 1668/4885MAPK12 1301/4885

“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.