SCHEMBL8515910

SCHEMBL8515910

OCc1ccccc1C#CCCNc1ncnc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
LMNA P02545 5/20 0.53
HTT P42858 5/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 1/20 0.53
EGFR P00533 4/20 0.50
MAPK1 P28482 2/20 0.50
APP P05067 2/20 0.50
LDHA P00338 1/20 0.49
GAA P10253 3/20 0.48
ALPG P10696 1/20 0.48
S1PR2 O95136 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 3/20 0.46
NR2F2 P24468 3/20 0.46
GALR3 O60755 2/20 0.46
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.43

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
SCHEMBL8506655 0.92 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTKMT2AMAPT
SCHEMBL9608009 0.90 HTT (0.50) SMN1; SMN2LMNAHTTKMT2AMAPT
SCHEMBL8496823 0.89 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTKMT2AMAPT
SCHEMBL8505191 0.88 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTKMT2AMAPT
SCHEMBL8505050 0.87 LMNA (0.47) SMN1; SMN2LMNAHTTKMT2AMAPT
SCHEMBL9608042 0.86 LDHA (0.48) SMN1; SMN2LMNAHTTKMT2AMAPT
SCHEMBL8504062 0.86 LDHA (0.57) SMN1; SMN2LMNAHTTKMT2AMAPT
SCHEMBL12960879 0.85 EGFR (0.53) SMN1; SMN2LMNAKMT2AMAPTEGFR
SCHEMBL9608012 0.85 LMNA (0.46) SMN1; SMN2LMNAHTTKMT2AMAPT
SCHEMBL8497214 0.84 EGFR (0.52) SMN1; SMN2LMNAHTTKMT2AMAPT

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 9 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
EP-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 EP 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 SMN1; SMN2 3889/4885LMNA 3472/4885HTT 890/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 SMN1; SMN2 4679/4885LMNA 4659/4885HTT 2572/4885

“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.