SCHEMBL6711657

SCHEMBL6711657

COC(=O)CCCCc1nc(NCc2ccc(OC)c(Cl)c2)c2cc(Cl)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.41
ACHE P22303 1/20 0.41
PDE11A Q9HCR9 4/20 0.40
BCDIN3D Q7Z5W3 1/20 0.40
DHFR P00374 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
SCHEMBL6709544 0.99 PDE5A (0.41) PDE5AACHEPDE11ABCDIN3DDHFR
SCHEMBL6706661 0.97 PDE5A (0.42) PDE5AACHEPDE11ABCDIN3D
SCHEMBL7099463 0.97 PDE5A (0.41) PDE5AACHEPDE11ABCDIN3D
SCHEMBL6708213 0.94 ACHE (0.43) PDE5AACHEPDE11ABCDIN3D
SCHEMBL6709442 0.94 PDE5A (0.43) PDE5AACHEPDE11ABCDIN3D
SCHEMBL6709590 0.93 ACHE (0.42) PDE5AACHEPDE11ABCDIN3D
SCHEMBL6707049 0.92 PDE5A (0.41) PDE5AACHEPDE11ABCDIN3D
SCHEMBL6706997 0.91 PDE5A (0.41) PDE5AACHEPDE11ABCDIN3D
SCHEMBL6709568 0.91 ACHE (0.44) PDE5AACHEPDE11ABCDIN3D
SCHEMBL6711294 0.91 PDE5A (0.40) PDE5AACHEPDE11ABCDIN3D

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 9 patents. 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 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
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
US-20040034040-A1 Use of thienopyrimidines MERCK PATENT GMBH (DE) 2004-02-19 US disclosed
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 disclosed
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 disclosed
US-20020132818-A1 Thienopyrimidines MERCK PATENT GMBH (DE) 2002-09-19 US disclosed
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 disclosed
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 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 (5 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 PDE5A 9/4885ACHE 331/4885PDE11A 28/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR PDE5A 7/4885ACHE 539/4885PDE11A 44/4885
US-20040034040-A1 Use of thienopyrimidines DPYD, TBXAS1, TYMS PDE5A 164/4885ACHE 3052/4885PDE11A 530/4885
US-20020132818-A1 Thienopyrimidines PDE5A, PDE3B, PDE3A PDE5A 1/4885ACHE 377/4885PDE11A 28/4885
US-20040072846-A1 Pharmaceutical formulation containing thienopyrimidines and antithrombotics, calcium antagonists, prostaglandins or prostaglandin derivatives PTGER1, TBXA2R, PTGIS PDE5A 294/4885ACHE 1638/4885PDE11A 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.