SCHEMBL14168917

SCHEMBL14168917

CC(N)c1ccc(OC2CCCCC2)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.42
▸ PDE4A P27815 11/20 0.40
▸ PDE4B Q07343 8/20 0.40
▸ PDE4D Q08499 6/20 0.40
▸ PDE4C Q08493 5/20 0.40
▸ CSNK2A1 P68400 2/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ APP P05067 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
SCHEMBL8285879 0.84 HIF1A (0.40) HIF1APDE4APDE4BPDE4DPDE4C
SCHEMBL14168853 0.83 PDE4A (0.41) HIF1APDE4APDE4BPDE4DPDE4C
SCHEMBL9989172 0.82 APP (0.45) HIF1APDE4APDE4BPDE4DPDE4C
SCHEMBL8285881 0.82 PDE4A (0.59) HIF1APDE4APDE4BPDE4DPDE4C
SCHEMBL7317892 0.82 PDE4A (0.59) HIF1APDE4APDE4BPDE4DPDE4C
SCHEMBL12094255 0.79 APP (0.43) HIF1APDE4APDE4BPDE4DPDE4C
Hydrochloric Acid SCHEMBL22723238 0.78 APP (0.42) HIF1APDE4APDE4BPDE4DCSNK2A1
Hydrochloric Acid SCHEMBL22723239 0.78 APP (0.42) HIF1APDE4APDE4BPDE4DCSNK2A1
SCHEMBL15934281 0.78 CSNK2A1 (0.43) PDE4APDE4BPDE4DPDE4CCSNK2A1
SCHEMBL26984500 0.76 CSNK2A1 (0.44) PDE4APDE4BPDE4DPDE4CCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 — — US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 — — US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 — — US 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 (2 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-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C HIF1A 1944/4885PDE4A 1/4885PDE4B 2/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A HIF1A 3794/4885PDE4A 3/4885PDE4B 1/4885

“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.

Send feedback