SCHEMBL16094604

SCHEMBL16094604

CCCNc1nc(NCCOC)nc2c(NCCC)nc(NC)nc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.48
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH3 Q9ULD8 4/20 0.40
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
IP6K1 Q92551 4/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
APP P05067 2/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
PDE5A O76074 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL16094374 0.85 SLC29A1 (0.46) SLC29A1CYP1A2CYP2C19CDK5CDK5R1
SCHEMBL16094312 0.85 SLC29A1 (0.51) SLC29A1CYP1A2CYP2C19TLR7APP
Hydrochloric Acid SCHEMBL17494536 0.84 SLC29A1 (0.50) SLC29A1CYP1A2CYP2C19TLR7APP
SCHEMBL20164567 0.83 SLC29A1 (0.53) SLC29A1KCNH3CDK5CDK5R1TLR8
Hydrochloric Acid SCHEMBL20164521 0.82 SLC29A1 (0.51) SLC29A1KCNH3CDK5CDK5R1TLR8
SCHEMBL16094710 0.82 SLC29A1 (0.65) SLC29A1CYP1A2CYP2C19TLR7APP
SCHEMBL16094829 0.81 SLC29A1 (0.71) SLC29A1CYP1A2CYP2C19CDK5CDK5R1
SCHEMBL16094388 0.80 CYP1A2 (0.49) SLC29A1CYP1A2CYP2C19TLR8TLR7
Hydrochloric Acid SCHEMBL17494522 0.80 SLC29A1 (0.62) SLC29A1CYP1A2CYP2C19TLR7APP
SCHEMBL16094704 0.78 SLC29A1 (0.51) SLC29A1CYP1A2CYP2C19APPBCHE

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-9643971-B2 Breathing control modulating compounds, and methods of using same GALLEON PHARMACEUTICALS, INC. (US) 2017-05-09 US claimed
US-20160046635-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2016-02-18 US claimed
EP-2968329-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME Galleon Pharmaceuticals, Inc. (US) 2016-01-20 EP claimed
WO-2014151462-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. (US) 2014-09-25 WO claimed
US-9643971-B2 Breathing control modulating compounds, and methods of using same GALLEON PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-20160046635-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2016-02-18 US disclosed
EP-2968329-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME Galleon Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2014151462-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. (US) 2014-09-25 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-20160046635-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME PRDX5, QDPR, P2RX5 SLC29A1 1696/4885CYP1A2 1766/4885CYP2C19 1573/4885

“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.