SCHEMBL16094517

SCHEMBL16094517

CCCNc1nc(NCc2ccc(Cl)c(Cl)c2)nc2c(NCCC)nc(NC)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ TCF7L2 Q9NQB0 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ APP P05067 2/20 0.39
▸ BCHE P06276 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ DYRK1A Q13627 3/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.39
▸ CLK1 P49759 2/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ CD38 P28907 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ SLC29A1 Q99808 1/20 0.38
▸ REN P00797 1/20 0.38

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
Hydrochloric Acid SCHEMBL16094816 0.99 CTSL (0.41) CTSLCA1CA2CA9CTNNB1
SCHEMBL16094489 0.81 CA1 (0.46) CA1CA2CA9CTNNB1TCF7L2
SCHEMBL16094312 0.78 SLC29A1 (0.51) APPBCHEACHESLC29A1MEN1
Hydrochloric Acid SCHEMBL17494536 0.76 SLC29A1 (0.50) APPBCHEACHESLC29A1MEN1
SCHEMBL16094423 0.76 CD38 (0.42) APPBCHEACHECD38PKM
SCHEMBL16093975 0.75 SLC29A1 (0.44) APPBCHEACHEPKMRAD52
Hydrochloric Acid SCHEMBL16094900 0.75 CD38 (0.41) APPBCHEACHECD38PKM
SCHEMBL30664900 0.74 PKM (0.45) CTSLCA1CA2CA9GAA
SCHEMBL15720785 0.74 PKM (0.45) CTSLCA1CA2CA9GAA
Hydrochloric Acid SCHEMBL16094591 0.74 SLC29A1 (0.43) APPBCHEACHEPKMRAD52

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 CTSL 3381/4885CA1 2541/4885CA2 927/4885

“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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