SCHEMBL5250316

SCHEMBL5250316

COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)Nc2cncnc2)cc1Cl

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.80

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
SCHEMBL5250320 1.00 PDE5A (0.80) PDE5A
SCHEMBL1679631 0.91 PDE5A (0.82) PDE5A
SCHEMBL1679628 0.91 PDE5A (0.82) PDE5A
SCHEMBL8499754 0.90 PDE5A (0.89) PDE5A
SCHEMBL28412519 0.90 PDE5A (0.83) PDE5A
SCHEMBL8486537 0.90 PDE5A (0.83) PDE5A
SCHEMBL5246869 0.89 PDE5A (0.79) PDE5A
SCHEMBL5246859 0.89 PDE5A (0.79) PDE5A
SCHEMBL8507921 0.89 PDE5A (0.80) PDE5A
SCHEMBL8487823 0.89 PDE5A (0.81) 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
EP-1219609-B1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO (JP) 2007-04-04 EP disclosed
US-6797709-B2 SEXUAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 2004-09-28 US disclosed
US-20030229095-A1 Sexual disorders TANABE SEIYAKU CO., LTD. 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
US-20030032647-A1 Treatment of penile erectile dysfunction, pulmonary hypertension, and diabetic gastroparesis MITSUBISHI TANABE PHARMA CORPORATION (JP) 2003-02-13 US disclosed
CN-1374953-A 6-membered aromatic ring compound containing nitrogen TANABE SEIYAKU CO (JP) 2002-10-16 CN 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 (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-20030032647-A1 Treatment of penile erectile dysfunction, pulmonary hypertension, and diabetic gastroparesis PDE3A, PDE3B, PDE2A PDE5A 4/4885
US-20030229095-A1 Sexual disorders PDE3B, PDE3A, PDE2A PDE5A 4/4885

“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.