SCHEMBL9608027

SCHEMBL9608027

COC(=O)N(C)c1ccccc1C#CCCNc1ncnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.48
GAA P10253 3/20 0.47
ALPG P10696 1/20 0.47
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
S1PR2 O95136 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 4/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
APP P05067 2/20 0.41
EGFR P00533 3/20 0.41
MAPK1 P28482 2/20 0.41
AURKA O14965 1/20 0.41
NR2F2 P24468 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 3/20 0.38

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
SCHEMBL9609143 0.89 LDHA (0.47) LDHAGAAALPGLMNASMN1; SMN2
SCHEMBL9608020 0.79 APP (0.58) LDHAGAAALPGLMNASMN1; SMN2
SCHEMBL8496823 0.78 SMN1; SMN2 (0.53) LDHAGAAALPGLMNASMN1; SMN2
SCHEMBL9608047 0.78 LMNA (0.47) LDHAGAAALPGLMNASMN1; SMN2
SCHEMBL8504062 0.77 LDHA (0.57) LDHAGAAALPGLMNASMN1; SMN2
SCHEMBL9608048 0.77 GAA (0.50) LDHAGAAALPGLMNASMN1; SMN2
SCHEMBL8515910 0.77 SMN1; SMN2 (0.53) LDHAGAAALPGLMNASMN1; SMN2
SCHEMBL15374823 0.76 LDHA (0.53) LDHAGAAALPGLMNASMN1; SMN2
SCHEMBL9608022 0.76 SMN1; SMN2 (0.54) LDHAGAAALPGLMNASMN1; SMN2
SCHEMBL9608032 0.76 LDHA (0.52) LDHAGAAALPGLMNASMN1; 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 4 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-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-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 LDHA 2794/4885GAA 3714/4885ALPG 1714/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 LDHA 3946/4885GAA 4563/4885ALPG 4379/4885

“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.