SCHEMBL5230535

SCHEMBL5230535

COc1cc(NC2CCN(C(C)=O)CC2)ccc1-c1nc2c(C)nn(-c3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.48
PDE7B Q9NP56 3/20 0.47
PDE5A O76074 4/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC2 Q92769 2/20 0.40
CNR1 P21554 1/20 0.40
PDE4D Q08499 1/20 0.39
MAPT P10636 2/20 0.39
PTGS2 P35354 1/20 0.39
HDAC3 O15379 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5236550 0.91 PDE7A (0.50) PDE7APDE7BPDE5AHDAC1HDAC6
SCHEMBL5234019 0.88 PDE7A (0.49) PDE7APDE7BPDE5APDE4D
SCHEMBL5235919 0.87 PDE7A (0.48) PDE7APDE7BPDE5AHDAC1HDAC6
SCHEMBL5230096 0.87 PDE7A (0.47) PDE7APDE7B
SCHEMBL5230528 0.85 PDE7A (0.68) PDE7APDE7BPDE4D
SCHEMBL5232040 0.84 PDE7A (0.47) PDE7APDE7BPDE5AMAPT
SCHEMBL5236084 0.80 PDE7A (0.51) PDE7APDE7BPDE4D
SCHEMBL5234499 0.79 PDE5A (0.48) PDE7APDE7BPDE5AMAPTMEN1
SCHEMBL5230543 0.78 PDE7A (0.62) PDE7APDE7BPDE4D
SCHEMBL5232794 0.78 PDE7A (0.49) PDE7APDE7BPDE5APDE4D

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.