SCHEMBL4977840

SCHEMBL4977840

COc1ccc(CNc2nc(SC)ncc2CO)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
PDE5A O76074 11/20 0.52
PDE6D O43924 2/20 0.48
PDE6A P16499 2/20 0.48
PDE6G P18545 2/20 0.48
PDE6B P35913 2/20 0.48
PDE6C P51160 2/20 0.48
PDE6H Q13956 2/20 0.48

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
SCHEMBL28818029 0.87 HTT (0.56) HTTPDE5A
SCHEMBL31189121 0.83 PDE5A (0.54) PDE5A
SCHEMBL4974720 0.83 PDE5A (0.54) PDE5A
SCHEMBL4974488 0.83 HTT (0.46) HTTPDE5A
SCHEMBL4712339 0.82 HTT (0.76) HTTPDE5A
SCHEMBL5249215 0.82 PDE5A (0.51) PDE5A
SCHEMBL5888355 0.80 PDE5A (0.50) PDE5A
SCHEMBL5888359 0.80 PDE5A (0.46) HTTPDE5A
SCHEMBL1679801 0.80 PDE5A (0.59) HTTPDE5APDE6DPDE6APDE6G
SCHEMBL31694381 0.80 PDE5A (0.59) HTTPDE5APDE6DPDE6APDE6G

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 15 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
EP-1219609-B1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO (JP) 2007-04-04 EP disclosed
US-7078522-B2 Pyridopyrimidine or naphthyridine derivative TANABE SEIYAKU CO., LTD. (JP) 2006-07-18 US disclosed
US-20050101615-A1 Pyridopyrimidine or naphthyridine derivative TANABE SEIYAKU CO., LTD. (JP) 2005-05-12 US disclosed
US-6797709-B2 SEXUAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 2004-09-28 US disclosed
US-20040142930-A1 Cyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-22 US disclosed
US-20030229095-A1 Sexual disorders TANABE SEIYAKU CO., LTD. 2003-12-11 US disclosed
US-20030229089-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2003-12-11 US disclosed
US-6656935-B2 Treatment of penile erectile dysfunction, pulmonary hypertension, and diabetic gastroparesis TANABE SEIYAKU CO., LTD. (JP) 2003-12-02 US disclosed
EP-1364950-A1 PYRIDOPYRIMIDINE OR NAPHTHYRIDINE DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 2003-11-26 EP disclosed
US-20030032647-A1 Treatment of penile erectile dysfunction, pulmonary hypertension, and diabetic gastroparesis MITSUBISHI TANABE PHARMA CORPORATION (JP) 2003-02-13 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP disclosed
EP-1219609-A1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2002-07-03 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 (6 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-20030032647-A1 Treatment of penile erectile dysfunction, pulmonary hypertension, and diabetic gastroparesis PDE3A, PDE3B, PDE2A HTT 3224/4885PDE5A 4/4885PDE6D 55/4885
US-20050101615-A1 Pyridopyrimidine or naphthyridine derivative PDE5A, PDE3B, PDE3A HTT 3687/4885PDE5A 1/4885PDE6D 15/4885
US-20030229095-A1 Sexual disorders PDE3B, PDE3A, PDE2A HTT 3960/4885PDE5A 4/4885PDE6D 12/4885
US-20030229089-A1 Cyclic compounds PDE3B, PDE5A, PDE9A HTT 3412/4885PDE5A 2/4885PDE6D 16/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A HTT 3406/4885PDE5A 3/4885PDE6D 14/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B HTT 3758/4885PDE5A 4/4885PDE6D 13/4885

“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.