SCHEMBL9608064

SCHEMBL9608064

N#Cc1cc(C(F)(F)F)ccc1C#CCCNc1ncnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.46
ABCG2 Q9UNQ0 3/20 0.46
HTT P42858 5/20 0.45
TSHR P16473 3/20 0.45
LMNA P02545 4/20 0.42
MAPK1 P28482 3/20 0.42
APP P05067 2/20 0.42
LDHA P00338 1/20 0.41
CCRL2 O00421 1/20 0.41
CCR2 P41597 1/20 0.41
KCNH2 Q12809 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 3/20 0.41
ALPG P10696 1/20 0.41
S1PR2 O95136 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CCNC P24863 1/20 0.41
CDKN1A P38936 1/20 0.41
CDK8 P49336 1/20 0.41
CDK19 Q9BWU1 1/20 0.41

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
SCHEMBL9608055 0.88 HTT (0.45) EGFRABCG2HTTTSHRLMNA
SCHEMBL8483387 0.87 EGFR (0.47) EGFRABCG2HTTTSHRLMNA
SCHEMBL9608059 0.87 EGFR (0.47) EGFRABCG2HTTTSHRLMNA
SCHEMBL8504213 0.85 LMNA (0.51) EGFRABCG2HTTTSHRLMNA
SCHEMBL8503772 0.82 HTT (0.50) EGFRABCG2HTTTSHRLMNA
SCHEMBL9608010 0.80 HTT (0.48) EGFRABCG2HTTTSHRLMNA
SCHEMBL9608054 0.80 HTT (0.44) EGFRABCG2HTTTSHRLMNA
SCHEMBL8482538 0.79 HTT (0.45) EGFRABCG2HTTTSHRLMNA
SCHEMBL9608062 0.79 HTT (0.50) EGFRHTTTSHRLMNAMAPK1
SCHEMBL9608053 0.78 HTT (0.44) EGFRABCG2HTTTSHRLMNA

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
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

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 EGFR 3683/4885ABCG2 1188/4885HTT 890/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 EGFR 2442/4885ABCG2 3012/4885HTT 2572/4885

“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.