SCHEMBL2962453

SCHEMBL2962453

CCOC(=O)CC(C(=O)OC)C(=O)c1cccn2nc(CC)cc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.34
ALDH1A1 P00352 6/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TGFBR1 P36897 2/20 0.32
PDE4B Q07343 1/20 0.32
KDM4E B2RXH2 3/20 0.32
GLA P06280 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CFD P00746 1/20 0.31
TSHR P16473 1/20 0.31
NR3C2 P08235 1/20 0.31

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
SCHEMBL2965155 0.82 PDE4B (0.35) SPRALDH1A1HPGDPDE4BKDM4E
SCHEMBL2961579 0.76 PDE4B (0.36) ALDH1A1LMNAHPGDHSD17B10PDE4B
SCHEMBL2967764 0.74 MIF (0.35) ALDH1A1PDE4BTSHR
SCHEMBL13266037 0.73 MIF (0.35) ALDH1A1PDE4BTSHR
SCHEMBL3222485 0.73 DHODH (0.40) SPRALDH1A1HSD17B10KDM4E
SCHEMBL2963896 0.72 HSP90AB1 (0.35) SPRALDH1A1HSD17B10TGFBR1PDE4B
SCHEMBL13266123 0.70 PDE4B (0.31) ALDH1A1PDE4BTSHR
SCHEMBL13326891 0.69 TSHR (0.46) SPRALDH1A1HPGDHSD17B10KDM4E
SCHEMBL13266060 0.68 PARP1 (0.33) PDE4BMAPT
SCHEMBL2961374 0.68 KMT2A (0.38) ALDH1A1LMNAHPGDHSD17B10KDM4E

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 SPR 997/4885ALDH1A1 215/4885LMNA 2981/4885

“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.