SCHEMBL9608213

SCHEMBL9608213

COCc1cc(C)ccc1C#CCCNc1ncnc(C)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM4 P08173 2/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
GALR3 O60755 1/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 4/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9608214 0.87 KMT2A (0.35) LMNASMN1; SMN2CHRM4EGFRERBB2
SCHEMBL9608038 0.82 LDHA (0.52) LMNAHTTSMN1; SMN2EGFRGALR3
SCHEMBL9609151 0.80 SMN1; SMN2 (0.41) LMNAHTTSMN1; SMN2CHRM4GALR3
SCHEMBL9608217 0.78 KMT2A (0.35) LMNASMN1; SMN2GALR3HPGDKDM4E
SCHEMBL8491657 0.76 LMNA (0.55) LMNAHTTSMN1; SMN2EGFRHPGD
SCHEMBL9608187 0.76 HTT (0.45) LMNAHTTSMN1; SMN2EGFRERBB2
SCHEMBL8516415 0.75 LDHA (0.51) LMNAHTTSMN1; SMN2EGFRKDM4E
SCHEMBL9608215 0.74 KMT2A (0.36) LMNASMN1; SMN2EGFRERBB2GALR3
SCHEMBL9608212 0.74 POLB (0.35) LMNAHTTSMN1; SMN2CHRM4EGFR
SCHEMBL9608036 0.73 LDHA (0.52) LMNAHTTSMN1; SMN2EGFRGALR3

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 LMNA 3472/4885HTT 890/4885SMN1; SMN2 3889/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 LMNA 4659/4885HTT 2572/4885SMN1; SMN2 4679/4885

“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.