SCHEMBL102269

SCHEMBL102269

C[Si](C)(C)C#CCCc1nc2ccccc2n1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 3/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 1/20 0.54
POLB P06746 1/20 0.53
TNF P01375 1/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
AGTR1 P30556 2/20 0.52
AGTR2 P50052 2/20 0.52
PKM P14618 1/20 0.51
PPARG P37231 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL105355 0.90 LMNA (0.65) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL229324 0.82 MEN1 (0.78) MEN1KMT2ALMNASMN1; SMN2TP53
SCHEMBL103179 0.81 MEN1 (0.64) MEN1KMT2ALMNASMN1; SMN2TP53
SCHEMBL101429 0.81 MEN1 (0.53) MEN1KMT2ALMNASMN1; SMN2TP53
SCHEMBL102133 0.80 MAPT (0.54) LMNASMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL104734 0.77 MEN1 (0.42) MEN1KMT2ALMNASMN1; SMN2TP53
SCHEMBL102461 0.76 POLB (0.51) MEN1KMT2ALMNASMN1; SMN2TP53
SCHEMBL6361819 0.76 RAB9A (0.78) MEN1KMT2ALMNASMN1; SMN2TP53
SCHEMBL29411886 0.76 AGTR1 (0.76) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL9518750 0.76 HDAC1 (0.69) MEN1KMT2ALMNASMN1; SMN2TP53

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 9 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
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 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 MEN1 4118/4885KMT2A 2181/4885LMNA 4407/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 MEN1 3565/4885KMT2A 1833/4885LMNA 4715/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 MEN1 4118/4885KMT2A 2181/4885LMNA 4407/4885

“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.