SCHEMBL6707577

SCHEMBL6707577

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 12/20 0.42
S1PR1 P21453 5/20 0.39
P2RX2 Q9UBL9 1/20 0.38
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL6710480 0.98 P2RX3 (0.41) P2RX3S1PR1P2RX2S1PR3S1PR5
SCHEMBL6710485 0.97 P2RX3 (0.41) P2RX3S1PR1P2RX2S1PR3S1PR5
SCHEMBL6710422 0.96 P2RX3 (0.46) P2RX3S1PR1P2RX2S1PR3S1PR5
SCHEMBL6712268 0.91 PDE11A (0.43)
SCHEMBL6712329 0.91 PDE5A (0.42)
SCHEMBL6763429 0.89 FFAR1 (0.42)
SCHEMBL6708873 0.89 PDE11A (0.42)
SCHEMBL6709028 0.88 PDE5A (0.42) P2RX3
SCHEMBL6710476 0.88 PDE11A (0.42)
SCHEMBL6707574 0.88 PDE5A (0.42) P2RX3

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 P2RX3 54/4885S1PR1 1727/4885P2RX2 108/4885
US-20040023990-A1 Use of pyrazolo[4,3-d]pyrimidines P2RX3, HRH2, HRH4 P2RX3 1/4885S1PR1 65/4885P2RX2 8/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR P2RX3 84/4885S1PR1 325/4885P2RX2 171/4885
US-20040023991-A1 Use of pyrazolo[4,3-d]pyrimidines DPYD, TYMP, PNPO P2RX3 14/4885S1PR1 959/4885P2RX2 46/4885
US-20040063730-A1 Pharmacuetical formulation comprising puyrazolo[4,-3-d]pyrimidines and antithrombotics, calcium antagonists, or prostaglandins or prostaglandin derivatives PTGIS, PTGIR, PTGER1 P2RX3 21/4885S1PR1 218/4885P2RX2 32/4885

“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.