SCHEMBL6707586

SCHEMBL6707586

CCCc1nn(C)c2c(NCc3ccc(OC(C)C)c(Cl)c3)nc(C3CCC(C(=O)O)CC3)nc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
PDE11A Q9HCR9 2/20 0.39
MAP4K4 O95819 2/20 0.38
MINK1 Q8N4C8 2/20 0.38
P2RX3 P56373 2/20 0.37
S1PR1 P21453 2/20 0.36
PDE3A Q14432 1/20 0.36
DYRK3 O43781 1/20 0.35
MARK3 P27448 1/20 0.35
PLK1 P53350 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35

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
Bicarbonate SCHEMBL7004189 0.92 P2RX3 (0.37) PDE5AHDAC1HDAC6PDE11AP2RX3
SCHEMBL6706941 0.92 PDE11A (0.46) PDE5AHDAC1HDAC6PDE11A
SCHEMBL6710427 0.91 PDE5A (0.37) PDE5AHDAC1HDAC6PDE11AP2RX3
SCHEMBL6771429 0.91 PDE5A (0.46) PDE5AHDAC1HDAC6PDE11APDE3A
SCHEMBL6707582 0.89 PDE5A (0.38) PDE5AHDAC1HDAC6PDE11APDE3A
SCHEMBL6710430 0.89 PDE11A (0.34) PDE5AHDAC1HDAC6PDE11AP2RX3
SCHEMBL6707017 0.86 PDE11A (0.46) PDE5AHDAC1HDAC6PDE11A
Bicarbonate SCHEMBL7001344 0.84 PDE5A (0.43) PDE5APDE11A
SCHEMBL6763686 0.83 PDE4A (0.41) PDE5AHDAC1HDAC6PDE3A
SCHEMBL6763523 0.83 PDE11A (0.42) PDE5AHDAC1HDAC6PDE11A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777419-B1 EXHIBIT PHOSPHODIESTERASE V INHIBITION AND CAN BE EMPLOYED FOR THE TREATMENT OF DISORDERS OF THE CARDIOVASCULAR SYSTEM OR ERECTILE DYSFUNCTION MERCK PATENT GMBH (DE) 2004-08-17 US disclosed
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-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-20040063730-A1 Pharmacuetical formulation comprising puyrazolo[4,-3-d]pyrimidines and antithrombotics, calcium antagonists, or prostaglandins or prostaglandin derivatives MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
US-20040023990-A1 Use of pyrazolo[4,3-d]pyrimidines MERCK PATENT GMBH (DE) 2004-02-05 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
EP-1210349-B1 PYRAZOLO 4,3-d]PYRIMIDINES MERCK PATENT GMBH (DE) 2003-01-29 EP 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

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 PDE5A 9/4885HDAC1 2539/4885HDAC6 2439/4885
US-20040023990-A1 Use of pyrazolo[4,3-d]pyrimidines P2RX3, HRH2, HRH4 PDE5A 246/4885HDAC1 3243/4885HDAC6 3458/4885
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 7/4885HDAC1 3376/4885HDAC6 3914/4885
US-20040063730-A1 Pharmacuetical formulation comprising puyrazolo[4,-3-d]pyrimidines and antithrombotics, calcium antagonists, or prostaglandins or prostaglandin derivatives PTGIS, PTGIR, PTGER1 PDE5A 100/4885HDAC1 3726/4885HDAC6 4182/4885

“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.