SCHEMBL9608094

SCHEMBL9608094

Fc1cccc(Oc2nc(C#CCCNc3ncnc4ccccc34)cs2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
LDHA P00338 1/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
APP P05067 2/20 0.38
MAPK1 P28482 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
GAA P10253 2/20 0.36
ALPG P10696 1/20 0.36
S1PR2 O95136 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
KDR P35968 3/20 0.35
NR2F2 P24468 2/20 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
SCHEMBL8504439 0.90 LDHA (0.41) EGFRLDHALMNAHTTAPP
SCHEMBL8506086 0.90 EGFR (0.45) EGFRABCG2LDHALMNAHTT
SCHEMBL9608087 0.90 CLK4 (0.45) EGFRABCG2LDHALMNAHTT
SCHEMBL9608089 0.89 EGFR (0.43) EGFRABCG2LDHALMNAHTT
SCHEMBL9608092 0.88 ABCG2 (0.44) EGFRABCG2LDHALMNAHTT
SCHEMBL8516377 0.85 LDHA (0.41) EGFRLDHALMNAHTTAPP
SCHEMBL9608088 0.85 EGFR (0.50) EGFRABCG2LDHALMNAHTT
SCHEMBL9608090 0.84 LDHA (0.39) EGFRABCG2LDHALMNAHTT
SCHEMBL9608093 0.83 ABCG2 (0.43) EGFRABCG2LDHALMNAHTT
SCHEMBL9609185 0.83 EGFR (0.46) EGFRABCG2LDHALMNAHTT

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 7 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
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 EGFR 3683/4885ABCG2 1188/4885LDHA 2794/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 EGFR 2442/4885ABCG2 3012/4885LDHA 3946/4885

“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.