SCHEMBL16094971

SCHEMBL16094971

C=CCNc1nc(NC)c2nc(NCC=C)nc(NC)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GBA1 P04062 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.35
HTR2A P28223 1/20 0.35
SLC29A1 Q99808 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
INSR P06213 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 SCHEMBL17494524 0.98 GAA (0.45) GAAKMT2AALDH1A1MEN1CYP1A2
SCHEMBL20164561 0.90 CYP1A2 (0.44) GAAKMT2AALDH1A1MEN1CYP1A2
SCHEMBL20164777 0.88 SLC29A1 (0.53) GAAKMT2AALDH1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL20164365 0.87 SLC29A1 (0.51) GAAKMT2AALDH1A1MEN1CYP1A2
SCHEMBL20164367 0.86 GAA (0.37) GAAKMT2AALDH1A1MEN1CYP1A2
SCHEMBL20164366 0.86 GAA (0.37) GAAKMT2AALDH1A1MEN1CYP1A2
SCHEMBL20164414 0.86 GAA (0.37) GAAKMT2AALDH1A1MEN1CYP1A2
SCHEMBL7930960 0.85 GAA (0.46) GAAKMT2AALDH1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL20164602 0.84 GAA (0.36) GAAKMT2AALDH1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL20164605 0.84 GAA (0.36) GAAKMT2AALDH1A1MEN1CYP1A2

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
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 GAA 1650/4885KMT2A 2071/4885ALDH1A1 1156/4885

“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.