SCHEMBL5453336

SCHEMBL5453336

CCCCNc1cccc2c(-c3ccnc(N4CCCC4)n3)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.40
FAAH O00519 1/20 0.38
AXL P30530 2/20 0.38
MERTK Q12866 2/20 0.38
GSK3B P49841 5/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1A Q13627 1/20 0.35

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
SCHEMBL5464501 0.93 ALDH1A1 (0.40) MAPK14AXLMERTK
SCHEMBL5464065 0.92 DYRK1A (0.35) MAPK14FAAHDYRK1A
SCHEMBL5460116 0.90 SCN9A (0.40) MAPK14AXL
SCHEMBL5457434 0.88 ACHE (0.41) MAPK14
SCHEMBL5457524 0.86 GSK3B (0.46) MAPK14AXLMERTKGSK3BTYRO3
SCHEMBL5455146 0.85 MAPK14 (0.43) MAPK14AXLMERTKGSK3BTYRO3
SCHEMBL14339988 0.84 MAPK14 (0.48) MAPK14AXLMERTKGSK3BTYRO3
SCHEMBL5460142 0.84 GSK3B (0.45) MAPK14AXLMERTKGSK3BTYRO3
SCHEMBL5460135 0.83 MAPK14 (0.41) MAPK14AXLGSK3BTYRO3
SCHEMBL5449738 0.83 KDR (0.46) MAPK14AXLMERTKGSK3BTYRO3

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 2533/4885FAAH 3991/4885AXL 1844/4885

“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.