SCHEMBL4976162

SCHEMBL4976162

COC(=O)c1nnc(Cl)cc1NCc1ccc(OC)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.49
PDE6D O43924 1/20 0.46
PDE6A P16499 1/20 0.46
PDE6G P18545 1/20 0.46
PDE6B P35913 1/20 0.46
PDE6C P51160 1/20 0.46
PDE6H Q13956 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL4977799 0.91 PDE5A (0.47) PDE5AGAA
SCHEMBL23015337 0.84 KDM4E (0.48) PDE5AALDH1A1
SCHEMBL21617346 0.84 HDAC8 (0.47) ALDH1A1GAA
SCHEMBL30724596 0.84 HDAC8 (0.47) ALDH1A1GAA
SCHEMBL26663224 0.83 ALDH1A1 (0.40) ALDH1A1GAA
SCHEMBL4974365 0.82 PDE5A (0.54) PDE5AGAA
SCHEMBL27590336 0.80 PDE5A (0.41) PDE5AGAA
SCHEMBL29922728 0.78 KDM4C (0.53) ALDH1A1
SCHEMBL27007123 0.78 KDM4C (0.53) ALDH1A1
SCHEMBL4979795 0.77 PDE5A (0.54) PDE5A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
CN-1657523-A Cyclic compounds TANABE SEIYAKU CO (JP) 2005-08-24 CN disclosed
US-20040142930-A1 Cyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-22 US disclosed
US-20030229089-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2003-12-11 US disclosed
CN-1440393-A cyclic compound TANABE SEIYAKU CO (JP) 2003-09-03 CN 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 (3 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-20030229089-A1 Cyclic compounds PDE3B, PDE5A, PDE9A PDE5A 2/4885PDE6D 16/4885PDE6A 15/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A PDE5A 3/4885PDE6D 14/4885PDE6A 15/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B PDE5A 4/4885PDE6D 13/4885PDE6A 11/4885

“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.