SCHEMBL9608031

SCHEMBL9608031

COCc1ccc(C#CCCNc2ncnc3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.57
APP P05067 2/20 0.51
EGFR P00533 5/20 0.50
NR2F2 P24468 3/20 0.50
POLB P06746 1/20 0.50
HTT P42858 4/20 0.49
LMNA P02545 4/20 0.49
MAPK1 P28482 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 3/20 0.47
ALPG P10696 1/20 0.47
S1PR2 O95136 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GALR3 O60755 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
CHEK2 O96017 1/20 0.44
ERBB2 P04626 1/20 0.44
ROS1 P08922 1/20 0.44

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
SCHEMBL8497242 0.88 LDHA (0.54) LDHAAPPEGFRNR2F2POLB
SCHEMBL9608024 0.87 LDHA (0.57) LDHAAPPEGFRNR2F2POLB
SCHEMBL8489559 0.85 HTT (0.52) LDHAAPPEGFRNR2F2POLB
SCHEMBL9608014 0.85 LDHA (0.53) LDHAAPPEGFRNR2F2POLB
SCHEMBL9608007 0.84 HTT (0.59) LDHAAPPEGFRNR2F2HTT
SCHEMBL9608013 0.83 LMNA (0.58) LDHAAPPEGFRNR2F2POLB
SCHEMBL9608017 0.83 LDHA (0.51) LDHAAPPEGFRNR2F2POLB
SCHEMBL9609177 0.82 HTT (0.51) LDHAAPPEGFRNR2F2POLB
SCHEMBL8497633 0.82 HTT (0.51) LDHAAPPEGFRNR2F2HTT
SCHEMBL8504062 0.82 LDHA (0.57) LDHAAPPEGFRNR2F2POLB

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 LDHA 2794/4885APP 2789/4885EGFR 3683/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 LDHA 3946/4885APP 4160/4885EGFR 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.