SCHEMBL16094423

SCHEMBL16094423

CCCNc1nc(NCc2cccc(Cl)c2C)nc2c(NCCC)nc(NC)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 2/20 0.42
▸ JAK3 P52333 1/20 0.39
▸ PRKCQ Q04759 1/20 0.38
▸ GPR39 O43194 1/20 0.38
▸ SLC29A1 Q99808 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ APP P05067 2/20 0.35
▸ BCHE P06276 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ NR4A2 P43354 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ CRHR1 P34998 1/20 0.34
▸ DHFR P00374 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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 SCHEMBL16094900 0.99 CD38 (0.41) CD38JAK3PRKCQGPR39SLC29A1
SCHEMBL15720683 0.77 KCNH3 (0.42) CD38JAK3PRKCQKMT2AP2RX7
SCHEMBL31711022 0.77 KCNH3 (0.42) CD38JAK3PRKCQKMT2AP2RX7
Hydrochloric Acid SCHEMBL15720240 0.76 KCNH3 (0.44) CD38JAK3PRKCQKMT2AP2RX7
SCHEMBL16094517 0.76 CTSL (0.41) CD38SLC29A1KMT2AAPPBCHE
SCHEMBL16094312 0.76 SLC29A1 (0.51) SLC29A1KMT2AAPPBCHEACHE
Hydrochloric Acid SCHEMBL16094816 0.75 CTSL (0.41) CD38SLC29A1KMT2AAPPBCHE
Hydrochloric Acid SCHEMBL17494536 0.74 SLC29A1 (0.50) SLC29A1KMT2AAPPBCHEACHE
SCHEMBL3788149 0.73 CD38 (0.46) CD38JAK3PRKCQP2RX7DHFR
SCHEMBL16093975 0.73 SLC29A1 (0.44) SLC29A1KMT2AAPPBCHEACHE

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 CD38 1734/4885JAK3 3559/4885PRKCQ 2584/4885

“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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