SCHEMBL9607951

SCHEMBL9607951

Fc1cccc(C#CCCNc2ncnc3sccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
TSHR P16473 1/20 0.46
TNF P01375 2/20 0.43
NOD1 Q9Y239 2/20 0.43
EGFR P00533 2/20 0.41
FADS1 O60427 1/20 0.41

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
SCHEMBL9607970 0.87 HTT (0.47) RAB9AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9607954 0.87 RAB9A (0.48) RAB9AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8482479 0.87 FADS1 (0.55) RAB9AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9609123 0.87 HTT (0.47) RAB9AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8505623 0.86 MEN1 (0.54) RAB9AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9607963 0.86 HTT (0.45) RAB9AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6122788 0.86 HTT (0.56) RAB9AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9609128 0.85 HTT (0.46) RAB9AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8506277 0.84 MEN1 (0.50) RAB9AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9609173 0.84 HTT (0.47) RAB9AMEN1KMT2AHTTSMN1; 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 8 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
WO-2011007839-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE 株式会社エス・ディー・エス バイオテック (JP) 2011-01-20 WO 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 RAB9A 3469/4885MEN1 1883/4885KMT2A 982/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 RAB9A 4200/4885MEN1 4853/4885KMT2A 1271/4885

“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.