SCHEMBL9608025

SCHEMBL9608025

CN(C)S(=O)(=O)c1ccc(C#CCCNc2ncnc3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
ALPG P10696 1/20 0.50
LMNA P02545 5/20 0.46
HTT P42858 5/20 0.46
LDHA P00338 1/20 0.46
PRNP P04156 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
S1PR2 O95136 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EGFR P00533 3/20 0.44
MAPK1 P28482 2/20 0.44
APP P05067 2/20 0.44
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
BRAF P15056 1/20 0.41
TNNI3K Q59H18 1/20 0.41
NR2F2 P24468 3/20 0.40
GALR3 O60755 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL9608023 0.88 LDHA (0.48) GAAALPGLMNAHTTLDHA
SCHEMBL8490791 0.85 GAA (0.50) GAAALPGLMNAHTTLDHA
SCHEMBL9608046 0.84 GAA (0.55) GAAALPGLMNAHTTLDHA
SCHEMBL9608048 0.83 GAA (0.50) GAAALPGLMNAHTTLDHA
SCHEMBL9608014 0.82 LDHA (0.53) GAAALPGLMNAHTTLDHA
SCHEMBL9609125 0.82 LDHA (0.46) GAAALPGLMNAHTTLDHA
SCHEMBL9608007 0.82 HTT (0.59) GAAALPGLMNAHTTLDHA
SCHEMBL8483329 0.81 HTT (0.64) GAAALPGLMNAHTTLDHA
SCHEMBL9608017 0.80 LDHA (0.51) GAAALPGLMNAHTTLDHA
SCHEMBL9609177 0.80 HTT (0.51) GAAALPGLMNAHTTLDHA

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 GAA 3714/4885ALPG 1714/4885LMNA 3472/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 GAA 4563/4885ALPG 4379/4885LMNA 4659/4885

“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.