SCHEMBL9608061

SCHEMBL9608061

COc1ccc(Cl)cc1C#CCCNc1ncnc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
HTT P42858 2/20 0.50
LDHA P00338 1/20 0.50
STAT1 P42224 1/20 0.49
PIK3CD O00329 2/20 0.47
PIK3R1 P27986 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
EGFR P00533 2/20 0.46
MAPK1 P28482 4/20 0.44
RAF1 P04049 1/20 0.44
MEN1 O00255 1/20 0.44
STAT3 P40763 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
NR2F2 P24468 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
SCHEMBL9608020 0.87 APP (0.58) APPSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL8483400 0.86 HTT (0.55) APPSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL9608037 0.86 LDHA (0.51) APPSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL9608057 0.85 HTT (0.56) APPSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL8516415 0.84 LDHA (0.51) APPSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL8504219 0.83 HTT (0.54) APPSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL11255561 0.80 APP (0.64) APPSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL8516608 0.80 APP (0.67) APPSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL9608062 0.80 HTT (0.50) APPSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL9608008 0.79 HTT (0.53) APPSMN1; SMN2NPSR1KDM4EHTT

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 6 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

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 APP 2789/4885SMN1; SMN2 3889/4885NPSR1 3234/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 APP 4160/4885SMN1; SMN2 4679/4885NPSR1 1290/4885

“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.