SCHEMBL9608047

SCHEMBL9608047

CC(=O)Nc1ccccc1C#CCCNc1ncnc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
LDHA P00338 1/20 0.46
AURKA O14965 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
ALPG P10696 1/20 0.46
S1PR2 O95136 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
HTT P42858 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL8496823 0.81 SMN1; SMN2 (0.53) LMNALDHAAURKASMN1; SMN2GAA
SCHEMBL8515910 0.80 SMN1; SMN2 (0.53) LMNALDHAAURKASMN1; SMN2GAA
SCHEMBL8485160 0.79 AURKA (0.56) LMNAABCG2LDHAAURKASMN1; SMN2
SCHEMBL8504213 0.78 LMNA (0.51) LMNAABCG2LDHASMN1; SMN2GAA
SCHEMBL9608008 0.78 HTT (0.53) LMNALDHAAURKASMN1; SMN2GAA
SCHEMBL8505921 0.78 LDHA (0.48) LMNALDHAAURKASMN1; SMN2GAA
SCHEMBL9608020 0.78 APP (0.58) LMNAABCG2LDHASMN1; SMN2GAA
SCHEMBL8489997 0.78 LDHA (0.50) LMNALDHAAURKASMN1; SMN2GAA
SCHEMBL9608027 0.78 LDHA (0.48) LMNALDHAAURKASMN1; SMN2GAA
SCHEMBL9608009 0.78 HTT (0.50) LMNAABCG2LDHAAURKASMN1; SMN2

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 LMNA 3472/4885ABCG2 1188/4885LDHA 2794/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 LMNA 4659/4885ABCG2 3012/4885LDHA 3946/4885

“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.