SCHEMBL16094334

SCHEMBL16094334

CNc1nc(Cl)nc2c(NC)nc(Cl)nc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 13/20 0.61
XDH P47989 1/20 0.44
PDE2A O00408 1/20 0.42
YTHDF3 Q7Z739 2/20 0.41
YTHDF1 Q9BYJ9 2/20 0.41
YTHDF2 Q9Y5A9 2/20 0.41
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.37
PDE4A P27815 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA3 P0DMS8 3/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 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
SCHEMBL20164680 0.87 YTHDC1 (0.50) YTHDC1XDHPDE2AYTHDF3YTHDF1
SCHEMBL30560039 0.87 YTHDC1 (0.50) YTHDC1XDHPDE2AYTHDF3YTHDF1
SCHEMBL7939938 0.83 YTHDC1 (0.49) YTHDC1XDHPDE2AYTHDF3YTHDF1
SCHEMBL16094908 0.80 YTHDC1 (0.45) YTHDC1XDHPDE2AYTHDF3YTHDF1
SCHEMBL20164431 0.80 SLC29A1 (0.46) YTHDC1YTHDF3YTHDF1YTHDF2
SCHEMBL16094346 0.78 KMT2A (0.49) YTHDC1YTHDF3YTHDF1YTHDF2CYP1A2
SCHEMBL10503500 0.77 YTHDC1 (0.47) YTHDC1XDHPDE2AYTHDF3YTHDF1
SCHEMBL20164757 0.76 SLC29A1 (0.54) YTHDC1
SCHEMBL20164561 0.76 CYP1A2 (0.44) YTHDC1YTHDF3YTHDF1YTHDF2ALDH1A1
SCHEMBL20164684 0.75 YTHDC1 (0.41) YTHDC1XDHYTHDF3YTHDF1YTHDF2

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 12 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-3316890-B1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF MAKING AND USING SAME NEURAD LTD (IL) 2023-09-06 EP disclosed
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same NEURAD LTD. (IL) 2019-05-21 US disclosed
US-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same NEURAD LTD. (IL) 2018-05-24 US disclosed
US-9643971-B2 Breathing control modulating compounds, and methods of using same GALLEON PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-9643971-B2 Breathing control modulating compounds, and methods of using same GALLEON PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
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
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 (3 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-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same MTNR1B, CHRM3, PER2 YTHDC1 2024/4885XDH 1179/4885PDE2A 8/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 YTHDC1 2085/4885XDH 784/4885PDE2A 8/4885
US-20160046635-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME PRDX5, QDPR, P2RX5 YTHDC1 686/4885XDH 429/4885PDE2A 43/4885

“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.