SCHEMBL9608055

SCHEMBL9608055

N#Cc1cc(F)ccc1C#CCCNc1ncnc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.45
LMNA P02545 4/20 0.45
EGFR P00533 3/20 0.45
APP P05067 2/20 0.45
MAPK1 P28482 2/20 0.45
LDHA P00338 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ABCG2 Q9UNQ0 3/20 0.44
GAA P10253 2/20 0.44
ALPG P10696 1/20 0.44
S1PR2 O95136 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CCNC P24863 1/20 0.43
CDKN1A P38936 1/20 0.43
CDK8 P49336 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GALR3 O60755 2/20 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
SCHEMBL8504213 0.89 LMNA (0.51) HTTLMNAEGFRAPPMAPK1
SCHEMBL9608050 0.88 HTT (0.48) HTTLMNAEGFRAPPMAPK1
SCHEMBL9608064 0.88 EGFR (0.46) HTTLMNAEGFRAPPMAPK1
SCHEMBL9608052 0.86 LDHA (0.48) HTTLMNAEGFRAPPMAPK1
SCHEMBL9608054 0.85 HTT (0.44) HTTLMNAEGFRAPPMAPK1
SCHEMBL9608053 0.84 HTT (0.44) HTTLMNAEGFRAPPMAPK1
SCHEMBL9608034 0.83 LDHA (0.51) HTTLMNAEGFRAPPMAPK1
SCHEMBL9608051 0.82 LMNA (0.44) HTTLMNAEGFRAPPMAPK1
SCHEMBL8504219 0.81 HTT (0.54) HTTLMNAEGFRAPPMAPK1
SCHEMBL8489783 0.81 LDHA (0.52) HTTLMNAEGFRAPPMAPK1

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.