SCHEMBL9608091

SCHEMBL9608091

[C-]#[N+]c1ccccc1Oc1nc(C#CCCNc2ncnc3ccccc23)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.39
HTT P42858 6/20 0.38
LMNA P02545 4/20 0.38
EGFR P00533 4/20 0.38
MAPK1 P28482 3/20 0.38
APP P05067 2/20 0.38
SMN1; SMN2 Q16637 7/20 0.36
GAA P10253 4/20 0.36
ALPG P10696 1/20 0.36
S1PR2 O95136 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NR2F2 P24468 3/20 0.34
RAB9A P51151 3/20 0.34
GALR3 O60755 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL9608086 0.86 LDHA (0.43) LDHAHTTLMNAEGFRMAPK1
SCHEMBL8516377 0.86 LDHA (0.41) LDHAHTTLMNAEGFRMAPK1
SCHEMBL9609186 0.86 APP (0.48) LDHAHTTLMNAEGFRMAPK1
SCHEMBL8516540 0.85 LDHA (0.40) LDHAHTTLMNAEGFRMAPK1
SCHEMBL8506086 0.84 EGFR (0.45) LDHAHTTLMNAEGFRMAPK1
SCHEMBL8505228 0.84 LDHA (0.39) LDHAHTTLMNAEGFRMAPK1
SCHEMBL8504439 0.83 LDHA (0.41) LDHAHTTLMNAEGFRMAPK1
SCHEMBL9608083 0.82 LDHA (0.51) LDHAHTTLMNAEGFRMAPK1
SCHEMBL9608088 0.81 EGFR (0.50) LDHAHTTLMNAEGFRMAPK1
SCHEMBL9608093 0.80 ABCG2 (0.43) LDHAHTTLMNAEGFRMAPK1

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 2794/4885HTT 890/4885LMNA 3472/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 LDHA 3946/4885HTT 2572/4885LMNA 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.