SCHEMBL102279

SCHEMBL102279

C[Si](C)(C)C#CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.47
PGK1 P00558 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
CHRM2 P08172 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7677017 0.84 PGK1 (0.46) GLSPGK1CHRM2HSD17B10MEN1
SCHEMBL31401623 0.81 MAPT (0.45) GLSMAPTRECQLMEN1KMT2A
SCHEMBL11758524 0.77 TDP1 (0.53) GLSMAPTCHRM2MEN1CYP1A2
SCHEMBL102333 0.76 KDM4E (0.52) KMT2A
SCHEMBL6123264 0.75 GLS (0.46) GLS
SCHEMBL102302 0.75 HSD17B10 (0.54) GLSPGK1MAPTHSD17B10MEN1
SCHEMBL6122839 0.75 RAB9A (0.50) GLSPGK1MAPTCYP1A2CYP2C19
SCHEMBL7349154 0.74 GLS (0.57) GLSMAPTCYP1A2CYP2C19
SCHEMBL8549922 0.73 CASP3 (0.61) MAPTHSD17B10KMT2A
SCHEMBL27145849 0.73 TSHR (0.51) CHRM2MEN1CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9089139-B2 Agri-horticultural pest control compositions comprising 4-(3-butynyl)aminopyrimidine derivatives SDS BIOTECH K. K. (JP) 2015-07-28 US disclosed
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
EP-2455371-B1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS BIOTECH CORP (JP) 2013-12-25 EP disclosed
EP-2664238-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVE-CONTAINING PEST CONTROL COMPOSITION FOR AGRICULTURAL OR HORTICULTURAL USE SDS Biotech K. K. (JP) 2013-11-20 EP disclosed
US-8586505-B2 4-(3-butynyl)aminopyrimidine derivatives as pest control agents for agricultural and horticultural use SDS BIOTECH K. K. (JP) 2013-11-19 US disclosed
US-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives SDS BIOTECH K.K. (JP) 2013-11-07 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
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use SDS BIOTECH K.K. (JP) 2012-05-31 US disclosed
EP-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 EP 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 (5 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-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives HCN1, HCN2, HCN3 GLS 440/4885PGK1 3482/4885MAPT 2967/4885
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GLS 317/4885PGK1 2712/4885MAPT 1113/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GLS 306/4885PGK1 2613/4885MAPT 630/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 GLS 2469/4885PGK1 3682/4885MAPT 4549/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GLS 317/4885PGK1 2712/4885MAPT 1113/4885

“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.