SCHEMBL104052

SCHEMBL104052

C#CCCc1cn2cccc(Br)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 4/20 0.34
MAPT P10636 6/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.33
PDE10A Q9Y233 3/20 0.32
MEN1 O00255 1/20 0.32
APEX1 P27695 1/20 0.32
KMT2A Q03164 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL102895 0.85 PDE10A (0.47) HTTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL101967 0.84 RAB9A (0.53) HTTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL103608 0.80 TSHR (0.39) HTTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL13395689 0.77 NPC1 (0.41) HTTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL23320338 0.76 MAPK1 (0.40) HTTTSHRRAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL2453756 0.76 NPC1 (0.40) HTTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL102842 0.75 ATP4A (0.46) RAB9ANPC1SMN1; SMN2MAPK1MAPT
SCHEMBL101624 0.75 PDE10A (0.55) HTTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL101358 0.73 GRM5 (0.41) HTTTSHRMAPTNPSR1
SCHEMBL7939459 0.69 PSEN1 (0.45) HTTTSHRRAB9ANPC1SMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
EP-1737865-A1 FUSED DERIVATIVES OF PYRAZOLE F.HOFFMANN-LA ROCHE AG (CH) 2007-01-03 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO disclosed
WO-2005085249-A1 FUSED DERIVATIVES OF PYRAZOLE F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 HTT 932/4885TSHR 465/4885RAB9A 1458/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 HTT 910/4885TSHR 454/4885RAB9A 1309/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 HTT 932/4885TSHR 465/4885RAB9A 1458/4885

“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.