SCHEMBL5457545

SCHEMBL5457545

CCCCNc1cccc2c(-c3ccnc(OCCN4CCOCC4)n3)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.46
MAPK13 O15264 10/20 0.46
MAPK12 P53778 10/20 0.46
MAPK11 Q15759 10/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
PIK3CA P42336 2/20 0.40
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC2A1 P11166 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MERTK Q12866 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
SCHEMBL5464011 0.89 MKNK1 (0.47) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5455092 0.89 MKNK1 (0.47) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL14339988 0.86 MAPK14 (0.48) MAPK14MERTK
SCHEMBL5464501 0.85 ALDH1A1 (0.40) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5457434 0.83 ACHE (0.41) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5452931 0.83 MAPK14 (0.49) MAPK14MAPK13MAPK1MERTK
SCHEMBL5457524 0.81 GSK3B (0.46) MAPK14MERTK
SCHEMBL5455146 0.80 MAPK14 (0.43) MAPK14MERTK
SCHEMBL5460116 0.80 SCN9A (0.40) MAPK14
SCHEMBL5453336 0.80 MAPK14 (0.40) MAPK14MERTK

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.