SCHEMBL5233333

SCHEMBL5233333

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
POLB P06746 2/20 0.42
PDE7A Q13946 1/20 0.42
PDE7B Q9NP56 1/20 0.42
PDE5A O76074 2/20 0.41
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL5231384 0.92 PDE7A (0.44) ALDH1A1POLBPDE7APDE7BPDE5A
SCHEMBL5228687 0.91 ALDH1A1 (0.42) ALDH1A1POLBPDE7APDE7BPDE5A
SCHEMBL5229283 0.91 ALDH1A1 (0.41) ALDH1A1POLBPDE7APDE7BPDE5A
SCHEMBL5231480 0.85 PDE7A (0.44) PDE7APDE7BPDE5AKDM4E
SCHEMBL5230293 0.85 PDE5A (0.45) PDE7APDE7BPDE5AMAPT
SCHEMBL5230059 0.84 PDE7A (0.47) PDE7APDE7BPDE5A
SCHEMBL5228288 0.83 PDE5A (0.47) PDE7APDE7BPDE5AMAPT
SCHEMBL5234570 0.83 PDE7A (0.47) ALDH1A1PDE7APDE7BPDE5ANPSR1
SCHEMBL5233324 0.83 PDE7A (0.65) ALDH1A1PDE7APDE7B
SCHEMBL5236162 0.82 PDE5A (0.44) ALDH1A1POLBPDE7APDE7BPDE5A

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 ALDH1A1 711/4885POLB 2355/4885PDE7A 4/4885

“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.