SCHEMBL6708945

SCHEMBL6708945

CCCc1nn(C)c2c(NCc3ccc(Cl)cc3)nc(CCCCC(=O)O)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
LMNA P02545 2/20 0.38
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE5A O76074 1/20 0.36
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
MAPK8 P45983 1/20 0.35
CTSL P07711 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR2 O95136 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
SCHEMBL6710407 0.92 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6706968 0.90 FFAR1 (0.41) FFAR1CTSL
SCHEMBL6708755 0.89 PDE4A (0.44) FFAR1CDK5CDK5R1PDE4APDE4B
SCHEMBL6763429 0.88 FFAR1 (0.42) FFAR1CTSL
SCHEMBL6708873 0.87 PDE11A (0.42) PDE5A
SCHEMBL6709028 0.87 PDE5A (0.42) PDE4APDE3APDE5A
SCHEMBL6710476 0.87 PDE11A (0.42) PDE5A
SCHEMBL6707574 0.86 PDE5A (0.42) PDE4APDE3APDE5A
SCHEMBL6710480 0.85 P2RX3 (0.41) S1PR1S1PR3
SCHEMBL6710419 0.85 PDE5A (0.43) FFAR1PDE4APDE4BPDE4CPDE4D

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 19 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
US-20040023991-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-1355649-A2 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO 4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES MERCK PATENT GmbH (DE) 2003-10-29 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
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
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 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
EP-1210349-A2 PYRAZOLO 4,3-d]PYRIMIDINES MERCK PATENT GmbH (DE) 2002-06-05 EP disclosed
WO-2002041880-A2 USE OF PYRAZOLO[4,3-D]PYRIMIDINES MERCK PATENT GMBH (DE) 2002-05-30 WO disclosed
WO-2001018004-A2 PYRAZOLO[4,3-d]PYRIMIDINES MERCK PATENT GMBH (DE) 2001-03-15 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 FFAR1 3222/4885LMNA 4764/4885CDK5 361/4885
US-20040023990-A1 Use of pyrazolo[4,3-d]pyrimidines P2RX3, HRH2, HRH4 FFAR1 1550/4885LMNA 4294/4885CDK5 1940/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR FFAR1 1125/4885LMNA 4526/4885CDK5 781/4885
US-20040023991-A1 Use of pyrazolo[4,3-d]pyrimidines DPYD, TYMP, PNPO FFAR1 4131/4885LMNA 4660/4885CDK5 471/4885
US-20040063730-A1 Pharmacuetical formulation comprising puyrazolo[4,-3-d]pyrimidines and antithrombotics, calcium antagonists, or prostaglandins or prostaglandin derivatives PTGIS, PTGIR, PTGER1 FFAR1 602/4885LMNA 4419/4885CDK5 288/4885

“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.