SCHEMBL5230127

SCHEMBL5230127

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.47
ROCK2 O75116 2/20 0.44
HPGD P15428 4/20 0.43
TAF1 P21675 2/20 0.41
BRD4 O60885 1/20 0.41
ADORA2A P29274 1/20 0.39
PDE5A O76074 2/20 0.39
HSD11B1 P28845 2/20 0.39
LRRK2 Q5S007 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL5233555 0.93 HPGD (0.52) PDE7AROCK2HPGDADORA2APDE5A
SCHEMBL5230296 0.91 ALDH1A1 (0.48) PDE7AROCK2HPGDADORA2APDE5A
SCHEMBL5231866 0.90 PDE5A (0.45) PDE7AHPGDPDE5ALRRK2
SCHEMBL5239214 0.86 PDE7A (0.56) PDE7ALRRK2
SCHEMBL5230203 0.86 PDE7A (0.48) PDE7AHPGDPDE5A
Hydrochloric Acid SCHEMBL5266182 0.85 PDE7A (0.55) PDE7ALRRK2
SCHEMBL5230116 0.84 PDE7A (0.68) PDE7A
SCHEMBL5230435 0.83 PDE7A (0.46) PDE7APDE5A
SCHEMBL5231579 0.81 PDE7A (0.45) PDE7APDE5A
SCHEMBL5230077 0.80 PDE7A (0.49) PDE7AADORA2APDE5A

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 4/4885ROCK2 922/4885HPGD 514/4885

“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.