SCHEMBL1813339

SCHEMBL1813339

COc1nc(S(=O)(=O)c2ccc(C)cc2)ccc1-c1nc2c(c(-c3ccccc3)nn2C)c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
PDE5A O76074 8/20 0.40
ALDH1A1 P00352 3/20 0.36
PDE7A Q13946 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
PRKDC P78527 1/20 0.34

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
SCHEMBL1812118 0.86 PDE5A (0.41) PDE5APDE7AKDM4EHPGD
SCHEMBL1814214 0.82 PDE5A (0.40) SMN1; SMN2PDE5APDE7APOLBKDM4E
SCHEMBL1813338 0.81 PDE7A (0.58) PDE5APDE7A
SCHEMBL1813498 0.81 PDE5A (0.43) PDE5APDE7AKDM4EHPGD
SCHEMBL1813165 0.79 PDE5A (0.39) PDE5AALDH1A1PDE7AKDM4ECYP1A2
SCHEMBL1815416 0.78 PDE5A (0.39) PDE5AALDH1A1PDE7AKDM4EHPGD
SCHEMBL5229312 0.78 PDE7A (0.47) PDE5APDE7AKDM4ECYP1A2CYP3A4
SCHEMBL1813123 0.77 PRKAB2 (0.41) PDE5AALDH1A1PDE7AKDM4ECYP1A2
SCHEMBL5227715 0.76 PDE7A (0.45) PDE5AALDH1A1PDE7AKDM4EHPGD
SCHEMBL5231538 0.76 PDE5A (0.57) PDE5AALDH1A1PDE7AKDM4EGAA

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
US-7943624-B2 Pyridinylpyrazolopyrimidinone derivatives as PDE 7 inhibitors ASUBIO PHARMA CO. LTD. (JP) 2011-05-17 US disclosed
EP-1636235-B1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS ASUBIO PHARMA CO LTD (JP) 2009-10-14 EP disclosed
US-20070270419-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS ASUBIO PHARMA CO., LTD. (JP) 2007-11-22 US disclosed
US-20060128728-A1 Pyridinylpyrazolopyrimidinone derivatives as pde 7 inhibitors DAIICHI ASUBIO PHARMA CO., LTD (JP) 2006-06-15 US 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 (2 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-20060128728-A1 Pyridinylpyrazolopyrimidinone derivatives as pde 7 inhibitors PDE7A, PDE5A, PDE3A SMN1; SMN2 3162/4885PDE5A 2/4885ALDH1A1 2683/4885
US-20070270419-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS PDE7A, PDE5A, PDE3A SMN1; SMN2 3197/4885PDE5A 2/4885ALDH1A1 2643/4885

“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.