SCHEMBL9607963

SCHEMBL9607963

FC(F)(F)c1cccc(C#CCCNc2ncnc3sccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
TNF P01375 2/20 0.41
NOD1 Q9Y239 2/20 0.41
EGFR P00533 1/20 0.39
FADS1 O60427 1/20 0.39
AURKA O14965 2/20 0.38

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
SCHEMBL8490056 0.91 HTT (0.45) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL9607964 0.87 TSHR (0.46) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL9607951 0.86 RAB9A (0.55) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL8482357 0.85 SMN1; SMN2 (0.44) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL8482479 0.84 FADS1 (0.55) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL9609123 0.84 HTT (0.47) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL9607970 0.84 HTT (0.47) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL9607954 0.84 RAB9A (0.48) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL6122788 0.84 HTT (0.56) HTTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL9609128 0.82 HTT (0.46) HTTSMN1; SMN2LMNARAB9ANPC1

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 HTT 890/4885SMN1; SMN2 3889/4885LMNA 3472/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 HTT 2572/4885SMN1; SMN2 4679/4885LMNA 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.