SCHEMBL15720683

SCHEMBL15720683

C#CCNc1nc(NCCC)nc(NCc2cccc(Cl)c2C)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 1/20 0.42
▸ CD38 P28907 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ NR1I2 O75469 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ P2RX7 Q99572 6/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ DHFR P00374 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36

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
SCHEMBL31711022 1.00 KCNH3 (0.42) KCNH3CD38PKMRAD52NR1I2
Hydrochloric Acid SCHEMBL15720240 0.99 KCNH3 (0.44) KCNH3CD38PKMRAD52NR1I2
SCHEMBL15720661 0.77 KCNH3 (0.49) KCNH3PKMRAD52NR1I2AHR
SCHEMBL16094423 0.77 CD38 (0.42) CD38PKMRAD52P2RX7HDAC3
SCHEMBL3788149 0.76 CD38 (0.46) CD38P2RX7JAK3DHFRPRKCQ
Hydrochloric Acid SCHEMBL16094900 0.76 CD38 (0.41) CD38PKMRAD52P2RX7HDAC3
SCHEMBL15720099 0.76 KMT2A (0.60) KCNH3PKMRAD52NR1I2AHR
SCHEMBL15720785 0.75 PKM (0.45) KCNH3CD38PKMRAD52NR1I2
SCHEMBL30664900 0.75 PKM (0.45) KCNH3CD38PKMRAD52NR1I2
Hydrochloric Acid SCHEMBL15721082 0.74 PKM (0.44) KCNH3CD38PKMRAD52NR1I2

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-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2015-10-15 — — US claimed
EP-2920155-A2 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME Galleon Pharmaceuticals, Inc. (US) 2015-09-23 — — EP claimed
WO-2014078575-A2 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. (US) 2014-05-22 — — WO claimed
WO-2023225177-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS TO TREAT RESPIRATORY DEPRESSION IN PATIENTS ENALARE THERAPEUTICS INC. (US) 2023-11-23 — — WO disclosed
US-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2015-10-15 — — US disclosed
US-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2015-10-15 — — US disclosed
US-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2015-10-15 — — US disclosed
EP-2920155-A2 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME Galleon Pharmaceuticals, Inc. (US) 2015-09-23 — — EP disclosed
WO-2014078575-A2 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. (US) 2014-05-22 — — WO disclosed
WO-2014078575-A2 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. (US) 2014-05-22 — — 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-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME MTNR1B, TNNC1, PER2 KCNH3 1980/4885CD38 3113/4885PKM 1707/4885

“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.

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