SCHEMBL6708745

SCHEMBL6708745

CCCc1nn(C)c2c(Cl)nc(CC(=O)OC)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.39
PDE5A O76074 8/20 0.37
TERT O14746 1/20 0.36
PDE6C P51160 1/20 0.36
LMNA P02545 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HDAC6 Q9UBN7 3/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE1C Q14123 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NR1I2 O75469 1/20 0.34

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
SCHEMBL6709011 0.89 MTOR (0.39) MTORPDE5ATERTPDE6CLMNA
SCHEMBL6707578 0.87 MTOR (0.38) MTORPDE5ATERTPDE6CLMNA
SCHEMBL6710404 0.86 MTOR (0.37) MTORPDE5ATERTPDE6CLMNA
SCHEMBL6706962 0.85 MTOR (0.36) MTORPDE5ATERTPDE6CLMNA
SCHEMBL6326040 0.79 PDE5A (0.38) MTORPDE5ATERTPDE6CLMNA
SCHEMBL7201327 0.77 PDE5A (0.39) MTORPDE5ATERTPDE6CLMNA
SCHEMBL7206620 0.76 PDE5A (0.38) MTORPDE5ATERTPDE6CLMNA
SCHEMBL7201875 0.76 PDE5A (0.38) PDE5ALMNANPC1RAB9AMEN1
SCHEMBL6706993 0.75 PDE11A (0.44) PDE5AHDAC6
SCHEMBL6707003 0.75 PDE5A (0.38) MTORPDE5AHDAC6ALDH1A1SMN1; SMN2

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-20040023991-A1 Use of pyrazolo[4,3-d]pyrimidines MERCK PATENT GMBH (DE) 2004-02-05 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
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 (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 MTOR 3450/4885PDE5A 9/4885TERT 2093/4885
US-20040023990-A1 Use of pyrazolo[4,3-d]pyrimidines P2RX3, HRH2, HRH4 MTOR 3582/4885PDE5A 246/4885TERT 4072/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR MTOR 2958/4885PDE5A 7/4885TERT 2255/4885
US-20040023991-A1 Use of pyrazolo[4,3-d]pyrimidines DPYD, TYMP, PNPO MTOR 2979/4885PDE5A 851/4885TERT 1072/4885
US-20040063730-A1 Pharmacuetical formulation comprising puyrazolo[4,-3-d]pyrimidines and antithrombotics, calcium antagonists, or prostaglandins or prostaglandin derivatives PTGIS, PTGIR, PTGER1 MTOR 3566/4885PDE5A 100/4885TERT 3721/4885

“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.