SCHEMBL5231978

SCHEMBL5231978

CCOc1cc(N2CCC(O)CC2)ccc1-c1nc2c(C)nn(-c3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.53
PDE7A Q13946 10/20 0.52
HDAC1 Q13547 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC2 Q92769 1/20 0.46
PDE1A P54750 2/20 0.44
PDE1B Q01064 2/20 0.44
PDE1C Q14123 2/20 0.44
PLK4 O00444 1/20 0.44
DCLK1 O15075 1/20 0.44
BRD4 O60885 1/20 0.44
PI4KA P42356 1/20 0.44
RPS6KA3 P51812 1/20 0.44
PTK2 Q05397 1/20 0.44
TNK2 Q07912 1/20 0.44
MAPK7 Q13164 1/20 0.44
TNK1 Q13470 1/20 0.44
RPS6KA2 Q15349 1/20 0.44
RPS6KA1 Q15418 1/20 0.44
BRDT Q58F21 1/20 0.44

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
SCHEMBL5234533 0.92 PDE7A (0.54) PDE5APDE7AHDAC1HDAC6HDAC2
SCHEMBL5230543 0.92 PDE7A (0.62) PDE7ACFTRPDE7B
SCHEMBL5233119 0.90 PDE5A (0.51) PDE5APDE7AHDAC1HDAC6HDAC2
SCHEMBL5231475 0.90 PDE5A (0.51) PDE5APDE7AHDAC1HDAC6HDAC2
SCHEMBL5234114 0.90 PDE5A (0.51) PDE5APDE7AHDAC1HDAC6HDAC2
SCHEMBL5229885 0.89 PDE5A (0.58) PDE5APDE7AHDAC1HDAC6HDAC2
SCHEMBL5233408 0.89 PDE5A (0.55) PDE5APDE7AHDAC1HDAC6PDE1A
SCHEMBL5228298 0.89 PDE5A (0.55) PDE5APDE7AHDAC1HDAC6HDAC2
SCHEMBL5231697 0.87 PDE5A (0.49) PDE5APDE7AHDAC1HDAC6HDAC2
SCHEMBL5232097 0.87 PDE7A (0.63) 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 PDE5A 8/4885PDE7A 4/4885HDAC1 642/4885

“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.