SCHEMBL5231995

SCHEMBL5231995

COc1cc(S(=O)(=O)N2CCC(N(C)C(=O)OCc3ccccc3)CC2)ccc1-c1nc2c(C)nn(-c3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.41
PDE7B Q9NP56 1/20 0.41
PDE5A O76074 12/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CCR5 P51681 1/20 0.37
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36

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
SCHEMBL5231983 0.91 PDE7A (0.55) PDE7APDE7BPDE5A
SCHEMBL5235389 0.89 PDE7A (0.45) PDE7APDE7B
SCHEMBL5229865 0.87 PDE7A (0.41) PDE7APDE7BPDE5AMEN1KMT2A
SCHEMBL5232270 0.85 PDE7A (0.49) PDE7APDE7BPDE5AHDAC1HDAC2
SCHEMBL5229855 0.84 PDE7A (0.37) PDE7APDE7BPDE5AHDAC1HDAC2
SCHEMBL5233941 0.83 PDE5A (0.44) PDE7APDE5AHDAC1HDAC2HDAC6
SCHEMBL5235214 0.82 PDE7A (0.49) PDE7APDE7BPDE5AHDAC1HDAC2
SCHEMBL5231731 0.81 PDE7A (0.45) PDE7APDE7BCCR5
SCHEMBL5231260 0.81 PDE5A (0.49) PDE7APDE7BPDE5APDE1APDE1B
SCHEMBL5232260 0.81 PDE5A (0.49) PDE7APDE7BPDE5APDE1APDE1B

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
EP-1454897-B1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7-INHIBITORY ACTIVITY ASUBIO PHARMA CO LTD (JP) 2007-10-10 EP disclosed
US-7268128-B2 1,3,5-trisubstituted-5-phenyl and 5-pyridyl pyrazolopyrimidinone derivatives having PDE7 inhibiting action AUSBIO PHARMA CO., LTD. (JP) 2007-09-11 US disclosed
US-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action OMEROS CORPORATION 2005-07-07 US disclosed
EP-1454897-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7−INHIBITORY ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-09-08 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-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action PDE7B, PDE3B, PDE3A PDE7A 4/4885PDE7B 1/4885PDE5A 8/4885

“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.