SCHEMBL5232139

SCHEMBL5232139

COc1cc(S(=O)(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)ccc1-c1nc2c(c(-c3ccccc3)nn2C)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
TGM2 P21980 6/20 0.44
F13A1 P00488 4/20 0.44
TGM1 P22735 4/20 0.44
PDE7A Q13946 1/20 0.41
TGM6 O95932 1/20 0.41
PDE5A O76074 2/20 0.40
SMPD3 Q9NY59 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 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
SCHEMBL5231019 0.96 TGM2 (0.46) PKMSMN1; SMN2HTTTGM2F13A1
SCHEMBL5232130 0.89 PDE7A (0.56) PKMSMN1; SMN2HTTTGM2F13A1
SCHEMBL5230317 0.87 PDE7A (0.47) SMN1; SMN2HTTPDE7APDE5AMEN1
SCHEMBL5231010 0.86 PDE7A (0.55) PKMSMN1; SMN2HTTTGM2F13A1
SCHEMBL5235267 0.86 APEX1 (0.47) SMN1; SMN2HTTPDE7APDE5AMEN1
SCHEMBL5230435 0.85 PDE7A (0.46) SMN1; SMN2HTTPDE7APDE5AMEN1
SCHEMBL5228445 0.85 POLB (0.50) SMN1; SMN2HTTPDE5AMEN1KMT2A
SCHEMBL5235418 0.84 PDE7A (0.48) SMN1; SMN2HTTPDE7APDE5AMEN1
SCHEMBL5231579 0.83 PDE7A (0.45) SMN1; SMN2HTTPDE7APDE5A
SCHEMBL5231363 0.82 PDE5A (0.55) SMN1; SMN2HTTPDE7APDE5AADORA2A

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 PKM 649/4885SMN1; SMN2 4062/4885HTT 4758/4885

“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.