SCHEMBL6711570

SCHEMBL6711570

COc1ccc(CNc2nc(CCCCC(=O)O)nc3sc(C)cc23)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
PDE5A O76074 9/20 0.42
PDE11A Q9HCR9 3/20 0.40
BCDIN3D Q7Z5W3 1/20 0.40

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
SCHEMBL6711488 0.99 ACHE (0.42) ACHEPDE5APDE11ABCDIN3D
SCHEMBL6707022 0.97 ACHE (0.43) ACHEPDE5APDE11ABCDIN3D
SCHEMBL6706625 0.95 ACHE (0.44) ACHEPDE5APDE11ABCDIN3D
SCHEMBL6707049 0.94 PDE5A (0.41) ACHEPDE5APDE11ABCDIN3D
SCHEMBL6706997 0.93 PDE5A (0.41) ACHEPDE5APDE11ABCDIN3D
SCHEMBL6708213 0.92 ACHE (0.43) ACHEPDE5APDE11ABCDIN3D
SCHEMBL6706664 0.91 PDE5A (0.41) ACHEPDE5APDE11ABCDIN3D
SCHEMBL6709590 0.91 ACHE (0.42) ACHEPDE5APDE11ABCDIN3D
SCHEMBL6709504 0.90 KDM4E (0.46) ACHEPDE5APDE11A
SCHEMBL6709518 0.89 PDE5A (0.43) ACHEPDE5APDE11ABCDIN3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates MERCK PATENT GMBH (DE) 2004-04-22 US claimed
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives MERCK PATENT GMBH (DE) 2004-04-15 US claimed
US-20040034040-A1 Use of thienopyrimidines MERCK PATENT GMBH (DE) 2004-02-19 US claimed
EP-1357915-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO 4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2003-11-05 EP claimed
EP-1355649-A2 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO 4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES MERCK PATENT GmbH (DE) 2003-10-29 EP claimed
EP-1347761-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-01 EP claimed
EP-1337256-A2 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2003-08-27 EP claimed
US-6495554-B2 PHOSPHODIESTERASE V INHIBITORS, TREATING CARDIOVASCULAR DISORDERS, AND THERAPY OF ERECTILE DYSFUNCTION. MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-12-17 US claimed
US-20020132818-A1 Thienopyrimidines MERCK PATENT GMBH (DE) 2002-09-19 US claimed
WO-2002062343-A2 PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO[4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2002-08-15 WO claimed
WO-2002060449-A2 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO[4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES MERCK PATENT GMBH (DE) 2002-08-08 WO claimed
US-6420368-B1 DISEASES OF THE CARDIOVASCULAR SYSTEM AND FOR TREATMENT AND/OR THERAPY OF ERECTILE DYSFUNCTION. MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-07-16 US claimed
WO-2002049650-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES MERCK PATENT GMBH (DE) 2002-06-27 WO claimed
WO-2002041896-A2 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2002-05-30 WO claimed
EP-1036078-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2000-09-20 EP claimed
WO-1999028325-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1999-06-10 WO claimed
US-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates MERCK PATENT GMBH (DE) 2004-04-22 US disclosed
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives MERCK PATENT GMBH (DE) 2004-04-15 US disclosed
EP-1036078-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2000-09-20 EP disclosed
WO-1999028325-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1999-06-10 WO 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 (4 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-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates PTGIS, DPYD, PTGIR ACHE 331/4885PDE5A 9/4885PDE11A 28/4885
US-20040034040-A1 Use of thienopyrimidines DPYD, TBXAS1, TYMS ACHE 3052/4885PDE5A 164/4885PDE11A 530/4885
US-20020132818-A1 Thienopyrimidines PDE5A, PDE3B, PDE3A ACHE 377/4885PDE5A 1/4885PDE11A 28/4885
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives PTGER1, TBXA2R, PTGIS ACHE 1638/4885PDE5A 294/4885PDE11A 1046/4885

“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.