SCHEMBL8505191

SCHEMBL8505191

OCc1cnccc1C#CCCNc1ncnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 4/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
EGFR P00533 6/20 0.45
MAPK1 P28482 2/20 0.45
APP P05067 2/20 0.45
LDHA P00338 1/20 0.44
GAA P10253 3/20 0.44
ALPG P10696 1/20 0.44
S1PR2 O95136 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GALR3 O60755 2/20 0.41
NR2F2 P24468 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
AURKA O14965 2/20 0.40

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
SCHEMBL8515910 0.88 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL9608067 0.83 HTT (0.52) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL8506655 0.82 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL9608009 0.81 HTT (0.50) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL8496823 0.80 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL9608069 0.79 HTT (0.48) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL9608071 0.79 HTT (0.50) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL9608068 0.78 EGFR (0.50) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL8497374 0.78 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL8505050 0.78 LMNA (0.47) SMN1; SMN2LMNAHTTMAPTKMT2A

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.