SCHEMBL2969491

SCHEMBL2969491

CCC(=O)c1ccc(N(C)C)n2nc(CC)cc12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.40
HSP90AB1 P08238 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PDE3A Q14432 8/20 0.34
POLB P06746 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL2967696 0.85 PDE4B (0.36) PDE4BHSP90AB1ALDH1A1PDE3ACNR1
SCHEMBL2967494 0.82 PDE4B (0.37) PDE4B
SCHEMBL2971475 0.82 PDE4B (0.46) PDE4BHSP90AB1ALDH1A1PDE3APOLB
SCHEMBL2968564 0.82 PDE4B (0.46) PDE4BHSP90AB1ALDH1A1PDE3APOLB
SCHEMBL2969806 0.78 PDE4B (0.50) PDE4BHSP90AB1PDE3APOLB
SCHEMBL13240807 0.78 PDE4B (0.45) PDE4BHSP90AB1PDE3APOLB
SCHEMBL2968629 0.78 PDE4B (0.61) PDE4BPDE3A
SCHEMBL2969900 0.78 PDE4B (0.53) PDE4BHSP90AB1PDE3APOLB
SCHEMBL2970580 0.78 PDE4B (0.49) PDE4BHSP90AB1ALDH1A1PDE3APOLB
SCHEMBL2960925 0.77 PGR (0.41) PDE4BHSP90AB1PDE3APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 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 (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-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient PDE5A, PDE3A, PDE3B PDE4B 7/4885HSP90AB1 3718/4885ALDH1A1 215/4885

“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.