SCHEMBL6070168

SCHEMBL6070168

CCOC(=O)c1c(C)nn(-c2ccccc2[N+](=O)[O-])c1C

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.67
PDE4D Q08499 4/20 0.62
SLC5A1 P13866 1/20 0.53
SLC5A2 P31639 1/20 0.53
P2RY12 Q9H244 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MITF O75030 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL7420258 0.83 SLC5A1 (0.55) PDE4BPDE4DSLC5A1SLC5A2ALDH1A1
SCHEMBL6070326 0.83 PKM (0.62) PDE4BPDE4DP2RY12ALDH1A1SMN1; SMN2
SCHEMBL17255673 0.81 PDE4B (0.74) PDE4BPDE4DP2RY12NPSR1ALDH1A1
SCHEMBL4316847 0.80 PDE4B (1.00) PDE4BPDE4DP2RY12NPSR1ALDH1A1
SCHEMBL6070491 0.80 PDE4B (0.73) PDE4BPDE4DP2RY12NPSR1ALDH1A1
SCHEMBL30900068 0.79 PDE4B (0.71) PDE4BPDE4DP2RY12NPSR1ALDH1A1
SCHEMBL2201643 0.77 PDE4D (1.00) PDE4BPDE4DSLC5A1SLC5A2P2RY12
SCHEMBL30583450 0.77 PDE4D (1.00) PDE4BPDE4DSLC5A1SLC5A2P2RY12
SCHEMBL6069548 0.77 PDE4D (1.00) PDE4BPDE4DP2RY12NPSR1ALDH1A1
SCHEMBL8081306 0.75 MAPT (0.50) SLC5A1SLC5A2ALDH1A1SMN1; SMN2MITF

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087634-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-08-08 US claimed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 US claimed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 US claimed
EP-1248781-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2002-10-16 EP claimed
WO-2001046172-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2001-06-28 WO claimed
US-7087634-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-08-08 US disclosed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 US disclosed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 US disclosed
EP-1248781-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2002-10-16 EP disclosed
WO-2001046172-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2001-06-28 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 (1 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-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A PDE4B 2/4885PDE4D 5/4885SLC5A1 3937/4885

“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.