SCHEMBL9607966

SCHEMBL9607966

COC(=O)c1cccc(C#CCCNc2ncnc3sccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
GALR3 O60755 1/20 0.48
NR2F2 P24468 1/20 0.48
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
TNF P01375 2/20 0.45
NOD1 Q9Y239 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.40
MKNK2 Q9HBH9 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
SCHEMBL9607967 0.88 NPC1 (0.60) SMN1; SMN2KDM4EMAPTMAPK1NPC1
SCHEMBL9607960 0.84 NPC1 (0.57) SMN1; SMN2KDM4EMAPTMAPK1NPC1
SCHEMBL9609123 0.83 HTT (0.47) SMN1; SMN2KDM4EMAPTMAPK1NPC1
SCHEMBL9607954 0.83 RAB9A (0.48) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL8506416 0.81 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EMAPTMAPK1NPC1
SCHEMBL9609128 0.81 HTT (0.46) SMN1; SMN2KDM4EMAPTMAPK1NPC1
SCHEMBL9607951 0.81 RAB9A (0.55) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL8482479 0.81 FADS1 (0.55) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL8505377 0.81 RAB9A (0.68) SMN1; SMN2MAPTMAPK1NPC1RAB9A
SCHEMBL9607970 0.81 HTT (0.47) SMN1; SMN2MAPK1NPC1RAB9AHTT

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 SMN1; SMN2 3889/4885KDM4E 930/4885MAPT 2967/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 SMN1; SMN2 4679/4885KDM4E 1661/4885MAPT 4549/4885

“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.