SCHEMBL9608214

SCHEMBL9608214

COCc1ccccc1C#CCCNc1ncnc(C)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
LDHA P00338 1/20 0.34
EGFR P00533 3/20 0.34
ERBB2 P04626 3/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 4/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR1 O14842 1/20 0.33
CHRM4 P08173 1/20 0.32
MAPK1 P28482 2/20 0.32
RXFP1 Q9HBX9 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 3/20 0.31

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
SCHEMBL9608217 0.90 KMT2A (0.35) KMT2ALDHAMEN1NPC1NR2F2
SCHEMBL9608213 0.87 LMNA (0.37) EGFRERBB2ALDH1A1KDM4EGAA
SCHEMBL9608215 0.87 KMT2A (0.36) KMT2ALDHAEGFRERBB2MEN1
SCHEMBL12960839 0.84 KMT2A (0.34) KMT2ALDHAEGFRERBB2MEN1
SCHEMBL9608218 0.84 KMT2A (0.34) KMT2ALDHAMEN1NPC1NR2F2
SCHEMBL10344760 0.84 RAB9A (0.44) KMT2ALDHAMEN1NPC1NR2F2
SCHEMBL9608177 0.82 AURKA (0.41) KMT2ALDHAALDH1A1KDM4EMAPK1
SCHEMBL8504062 0.81 LDHA (0.57) KMT2ALDHAEGFRMEN1NR2F2
SCHEMBL9608179 0.81 LDHA (0.39) KMT2ALDHAEGFRERBB2MEN1
SCHEMBL9608189 0.81 RXFP1 (0.37) KMT2ALDHAMEN1NPC1NR2F2

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 KMT2A 982/4885LDHA 2794/4885EGFR 3683/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 KMT2A 1271/4885LDHA 3946/4885EGFR 2442/4885

“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.