SCHEMBL16094237

SCHEMBL16094237

CCCNc1nc(NC)c2nc(N(CCOC)CCOC)nc(NC)c2n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 11/20 0.50
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PRUNE1 Q86TP1 1/20 0.34
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CRHR1 P34998 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.30
KCNH3 Q9ULD8 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL16094288 0.84 SLC29A1 (0.72) SLC29A1CYP2C19PRUNE1CCNE2CCNE1
Hydrochloric Acid SCHEMBL17494537 0.83 SLC29A1 (0.70) SLC29A1CYP2C19PRUNE1CCNE2CCNE1
SCHEMBL16094477 0.79 SLC29A1 (0.44) SLC29A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL16094563 0.79 SLC29A1 (0.46) SLC29A1CYP1A2CYP2C19CRHR1
SCHEMBL16094704 0.78 SLC29A1 (0.51) SLC29A1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL16094696 0.77 SLC29A1 (0.50) SLC29A1CYP1A2CYP2C19
SCHEMBL16094551 0.76 SLC29A1 (0.43) SLC29A1CYP1A2CYP2C19
SCHEMBL16094717 0.75 SLC29A1 (0.55) SLC29A1PRUNE1
SCHEMBL16094604 0.75 SLC29A1 (0.48) SLC29A1CYP1A2CYP2C19KCNH3TLR8
SCHEMBL14511435 0.74 CYP1A2 (0.40) SLC29A1CYP1A2CYP2C19CRHR1SMN1; SMN2

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 6 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
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.