SCHEMBL9608053

SCHEMBL9608053

Fc1ccc(C(F)(F)F)c(C#CCCNc2ncnc3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.44
LMNA P02545 4/20 0.44
EGFR P00533 4/20 0.44
MAPK1 P28482 3/20 0.44
APP P05067 2/20 0.44
LDHA P00338 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 3/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
ALPG P10696 1/20 0.43
S1PR2 O95136 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL9608054 0.93 HTT (0.44) HTTLMNAEGFRMAPK1APP
SCHEMBL9608010 0.89 HTT (0.48) HTTLMNAEGFRMAPK1APP
SCHEMBL9608050 0.87 HTT (0.48) HTTLMNAEGFRMAPK1APP
SCHEMBL9608052 0.85 LDHA (0.48) HTTLMNAEGFRMAPK1APP
SCHEMBL9608055 0.84 HTT (0.45) HTTLMNAEGFRMAPK1APP
SCHEMBL9608062 0.83 HTT (0.50) HTTLMNAEGFRMAPK1APP
SCHEMBL9608060 0.81 HTT (0.45) HTTLMNAEGFRMAPK1APP
SCHEMBL8489783 0.81 LDHA (0.52) HTTLMNAEGFRMAPK1APP
SCHEMBL8483079 0.80 HTT (0.54) HTTLMNAEGFRMAPK1APP
SCHEMBL9608034 0.80 LDHA (0.51) HTTLMNAEGFRMAPK1APP

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 7 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-9089139-B2 Agri-horticultural pest control compositions comprising 4-(3-butynyl)aminopyrimidine derivatives SDS BIOTECH K. K. (JP) 2015-07-28 US 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-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives SDS BIOTECH K.K. (JP) 2013-11-07 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HTT 890/4885LMNA 3472/4885EGFR 3683/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 HTT 2572/4885LMNA 4659/4885EGFR 2442/4885

“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.