SCHEMBL6708995

SCHEMBL6708995

CCCc1nn(C)c2c(NCc3ccc(Cl)c(Cl)c3)nc(CCCCCCC(=O)O)nc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
CTSL P07711 3/20 0.37
CTSB P07858 1/20 0.35
AURKA O14965 2/20 0.35
RPS6KB1 P23443 2/20 0.35
GAA P10253 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
SCHEMBL6706968 0.99 FFAR1 (0.41) FFAR1CTSLCTSBAURKARPS6KB1
SCHEMBL6763429 0.97 FFAR1 (0.42) FFAR1CTSLCTSBAURKARPS6KB1
SCHEMBL6709022 0.93 FFAR1 (0.46) FFAR1CTSLAURKARPS6KB1GAA
SCHEMBL6710476 0.92 PDE11A (0.42)
SCHEMBL6708873 0.91 PDE11A (0.42)
SCHEMBL6709028 0.90 PDE5A (0.42)
SCHEMBL6710485 0.90 P2RX3 (0.41)
SCHEMBL6708945 0.90 FFAR1 (0.39) FFAR1CTSL
SCHEMBL6710480 0.89 P2RX3 (0.41)
SCHEMBL6712268 0.88 PDE11A (0.43)

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 13 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-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
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 3222/4885CTSL 2296/4885CTSB 2914/4885
US-20040023990-A1 Use of pyrazolo[4,3-d]pyrimidines P2RX3, HRH2, HRH4 FFAR1 1550/4885CTSL 2427/4885CTSB 3740/4885
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 1125/4885CTSL 1887/4885CTSB 3087/4885
US-20040023991-A1 Use of pyrazolo[4,3-d]pyrimidines DPYD, TYMP, PNPO FFAR1 4131/4885CTSL 2454/4885CTSB 4269/4885
US-20040063730-A1 Pharmacuetical formulation comprising puyrazolo[4,-3-d]pyrimidines and antithrombotics, calcium antagonists, or prostaglandins or prostaglandin derivatives PTGIS, PTGIR, PTGER1 FFAR1 602/4885CTSL 1593/4885CTSB 2828/4885

“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.