SCHEMBL5229855

SCHEMBL5229855

COc1cc(N2CCC(N(C)C(=O)OCc3ccccc3)CC2)c(F)cc1-c1nc2c(C)nn(-c3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.37
PDE7B Q9NP56 2/20 0.37
PDE5A O76074 7/20 0.35
SIGMAR1 Q99720 1/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
SMPD3 Q9NY59 1/20 0.33

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
SCHEMBL5229843 0.90 PDE7A (0.51) PDE7APDE7B
SCHEMBL5235389 0.89 PDE7A (0.45) PDE7APDE7B
SCHEMBL5229865 0.85 PDE7A (0.41) PDE7APDE7BPDE5AHDAC1HDAC6
SCHEMBL5233941 0.85 PDE5A (0.44) PDE7APDE5ASIGMAR1HDAC1HDAC6
SCHEMBL5232284 0.84 PDE7A (0.40) PDE7APDE7B
SCHEMBL5231995 0.84 PDE7A (0.41) PDE7APDE7BPDE5AHDAC1HDAC6
SCHEMBL5231731 0.82 PDE7A (0.45) PDE7APDE7B
SCHEMBL5230908 0.82 PDE7A (0.44) PDE7APDE7BPDE5A
SCHEMBL5235376 0.80 PDE7A (0.57) PDE7APDE7B
SCHEMBL5234076 0.78 PDE7A (0.49) PDE7APDE7B

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.