SCHEMBL6707585

SCHEMBL6707585

CCCc1nn(C)c2c(NCc3cccc(OC)c3)nc(CCCCC(=O)O)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
MAPT P10636 1/20 0.42
EPHX2 P34913 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AURKA O14965 2/20 0.40
RPS6KB1 P23443 1/20 0.40
FAAH O00519 2/20 0.40
APP P05067 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38

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
SCHEMBL6708755 0.90 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6710407 0.89 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6708873 0.86 PDE11A (0.42)
SCHEMBL6710476 0.85 PDE11A (0.42)
SCHEMBL6708871 0.85 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6706968 0.84 FFAR1 (0.41) AURKARPS6KB1
SCHEMBL6712268 0.84 PDE11A (0.43)
SCHEMBL6708995 0.83 FFAR1 (0.41) AURKARPS6KB1
SCHEMBL6708945 0.83 FFAR1 (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6710419 0.82 PDE5A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B

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 14 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-1357904-A2 USE OF PYRAZOLO 4,3-D]PYRIMIDINES MERCK PATENT GmbH (DE) 2003-11-05 EP 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-1343506-A1 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO 4,3-D]PYRIMIDINES AND ANTITHROMBOTIC AGENTS, CALCIUM-ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES MERCK PATENT GmbH (DE) 2003-09-17 EP disclosed
EP-1339410-A1 USE OF PYRAZOLO 4,3-D]PYRIMIDINES MERCK PATENT GmbH (DE) 2003-09-03 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
WO-2002049651-A1 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO[4,3-D]PYRIMIDINES AND ANTITHROMBOTIC AGENTS, CALCIUM-ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES MERCK PATENT GMBH (DE) 2002-06-27 WO disclosed
WO-2002045716-A1 USE OF PYRAZOLO[4,3-D]PYRIMIDINES MERCK PATENT GMBH (DE) 2002-06-13 WO disclosed
WO-2002041880-A2 USE OF PYRAZOLO[4,3-D]PYRIMIDINES MERCK PATENT GMBH (DE) 2002-05-30 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 PDE4A 26/4885PDE4B 29/4885PDE4C 53/4885
US-20040023990-A1 Use of pyrazolo[4,3-d]pyrimidines P2RX3, HRH2, HRH4 PDE4A 285/4885PDE4B 498/4885PDE4C 765/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR PDE4A 28/4885PDE4B 43/4885PDE4C 86/4885
US-20040023991-A1 Use of pyrazolo[4,3-d]pyrimidines DPYD, TYMP, PNPO PDE4A 675/4885PDE4B 1005/4885PDE4C 970/4885
US-20040063730-A1 Pharmacuetical formulation comprising puyrazolo[4,-3-d]pyrimidines and antithrombotics, calcium antagonists, or prostaglandins or prostaglandin derivatives PTGIS, PTGIR, PTGER1 PDE4A 357/4885PDE4B 645/4885PDE4C 748/4885

“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.