SCHEMBL715585

SCHEMBL715585

Clc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 1.00
TBXAS1 P24557 3/20 0.74
PDE3B Q13370 3/20 0.74
PDE3A Q14432 3/20 0.74
PTGS1 P23219 1/20 0.74
PTGS2 P35354 1/20 0.74
HTR3A P46098 1/20 0.62
HRH4 Q9H3N8 1/20 0.62

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
Hydrochloric Acid SCHEMBL7280241 0.99 PDE5A (1.00) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7287234 0.92 PDE5A (0.85) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7287473 0.87 PDE5A (1.00) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7435275 0.86 PDE5A (0.78) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7278451 0.86 PDE5A (0.78) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7278185 0.86 PDE5A (0.78) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7431206 0.86 PDE5A (0.78) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7287466 0.86 PDE5A (1.00) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7280806 0.86 PDE5A (1.00) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7286771 0.85 PDE5A (0.78) PDE5ATBXAS1PDE3BPDE3APTGS1

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090041675-A1 Organic compounds TRIFILIEFF ALEXANDRE 2009-02-12 US claimed
US-20070197560-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2007-08-23 US claimed
EP-1140044-B1 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2006-03-15 EP claimed
US-20040214831-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2004-10-28 US claimed
US-20010055570-A1 Cyclic guanosine 3',5'-monophosphate phosphodiesterases (cGMP PDEs); using specified pyrazolopyrimidinone or aminoquinazoline derivatives NAEF RETO (CH) 2001-12-27 US claimed
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 EP claimed
US-6300335-B1 UROGENITAL DISORDERS PFIZER INC. 2001-10-09 US claimed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP claimed
US-10994082-B2 Inhaler counter ASTRAZENECA AB (SE) 2021-05-04 US disclosed
US-20190175849-A1 INHALER COUNTER BANG & OLUFSEN MEDICOM A/S (DK) 2019-06-13 US disclosed
US-20180339119-A1 INHALER BANG & OLUFSEN MEDICOM A/S (DK) 2018-11-29 US disclosed
EP-2755707-B1 INHALER ASTRAZENECA AB (SE) 2018-11-14 EP disclosed
EP-3345644-A1 INHALER Astrazeneca AB (SE) 2018-07-11 EP disclosed
EP-2755708-B1 INHALER ASTRAZENECA AB (SE) 2018-05-09 EP disclosed
WO-2000037061-A3 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2000-10-26 WO disclosed
WO-2000037061-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2000-06-29 WO disclosed
WO-1999059584-A1 COMBINATION OF PHENTOLAMINE AND CYCLIC GMP PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION SCHERING CORPORATION (US) 1999-11-25 WO disclosed
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 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-20090041675-A1 Organic compounds PDE12, PDE5A, RXFP4 PDE5A 2/4885TBXAS1 529/4885PDE3B 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.