SCHEMBL5228844

SCHEMBL5228844

CCOc1cc(NCCOC)ccc1-c1nc2c(C)nn(-c3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.54
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 2/20 0.46
PDE1A P54750 4/20 0.45
PDE1B Q01064 4/20 0.45
PDE1C Q14123 4/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
CFTR P13569 1/20 0.45
KDM4E B2RXH2 2/20 0.43
BRD4 O60885 1/20 0.39
GUSB P08236 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
SCHEMBL5232028 0.93 CFTR (0.46) PDE5AHDAC1HDAC6CFTRKDM4E
SCHEMBL5234499 0.85 PDE5A (0.48) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5231433 0.83 PDE7A (0.44) PDE5AALDH1A1HPGDKDM4E
SCHEMBL5228833 0.83 PDE7A (0.60) PDE5AHDAC1HDAC6PDE1APDE1B
SCHEMBL5230167 0.82 PDE5A (0.77) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5232435 0.82 PDE5A (0.61) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5229765 0.80 PDE7A (0.44) PDE5AMEN1ALDH1A1HPGDKMT2A
SCHEMBL5233604 0.79 PDE5A (0.57) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL5228298 0.78 PDE5A (0.55) PDE5AHDAC1HDAC6PDE1APDE1B
SCHEMBL5233408 0.78 PDE5A (0.55) PDE5AHDAC1HDAC6PDE1APDE1B

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 PDE5A 8/4885HDAC1 642/4885HDAC6 863/4885

“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.