SCHEMBL9607972

SCHEMBL9607972

Fc1cccc(F)c1C#CCCNc1ncnc2sccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HTT P42858 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TSHR P16473 1/20 0.48
LMNA P02545 5/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 3/20 0.45
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
TNF P01375 1/20 0.43
NOD1 Q9Y239 1/20 0.43
EGFR P00533 2/20 0.42
FADS1 O60427 1/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.40
MRGPRX1 Q96LB2 1/20 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
SCHEMBL9607950 0.87 MEN1 (0.59) MEN1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL9607951 0.83 RAB9A (0.55) MEN1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL8506277 0.83 MEN1 (0.50) MEN1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL8505623 0.82 MEN1 (0.54) MEN1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL6122788 0.82 HTT (0.56) MEN1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL9607983 0.82 HTT (0.59) MEN1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL9607979 0.81 TSHR (0.56) MEN1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL9607971 0.81 MEN1 (0.48) MEN1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL6123358 0.81 HTT (0.54) MEN1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL9607974 0.80 MEN1 (0.55) MEN1KMT2AHTTSMN1; SMN2TSHR

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 MEN1 1883/4885KMT2A 982/4885HTT 890/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 MEN1 4853/4885KMT2A 1271/4885HTT 2572/4885

“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.