SCHEMBL9607975

SCHEMBL9607975

COCc1ccccc1C#CCCNc1ncnc2ccsc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
AURKB Q96GD4 11/20 0.42
AURKA O14965 8/20 0.39
LDHA P00338 1/20 0.37
FADS1 O60427 1/20 0.35
EGFR P00533 1/20 0.35
MEN1 O00255 1/20 0.35
TNF P01375 1/20 0.35
KMT2A Q03164 1/20 0.35
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL9607973 0.84 KMT2A (0.53) MEN1TNFKMT2ANOD1
SCHEMBL8504062 0.83 LDHA (0.57) LDHAEGFRMEN1KMT2A
SCHEMBL9607976 0.82 MAPT (0.38) LDHAMEN1KMT2A
SCHEMBL8496692 0.82 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9608217 0.79 KMT2A (0.35) LDHAMEN1KMT2A
SCHEMBL9608179 0.79 LDHA (0.39) LDHAEGFRMEN1KMT2A
SCHEMBL9608184 0.79 LDHA (0.39) PDE4APDE4BPDE4CPDE4DLDHA
SCHEMBL9608187 0.79 HTT (0.45) LDHAEGFR
SCHEMBL8491657 0.79 LMNA (0.55) LDHAEGFRMEN1KMT2A
SCHEMBL8506954 0.79 EGFR (0.45) AURKALDHAEGFRKMT2A

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 PDE4A 3587/4885PDE4B 3237/4885PDE4C 3160/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 PDE4A 4086/4885PDE4B 3634/4885PDE4C 4163/4885

“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.