SCHEMBL9608074

SCHEMBL9608074

Cc1cccc(C#CCCNc2ncnc3ccccc23)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.50
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
GAA P10253 3/20 0.49
ALPG P10696 1/20 0.49
S1PR2 O95136 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GRM5 P41594 7/20 0.48
HTT P42858 4/20 0.48
EGFR P00533 3/20 0.48
MAPK1 P28482 2/20 0.48
APP P05067 2/20 0.48
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NR2F2 P24468 3/20 0.44
GALR3 O60755 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 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
SCHEMBL8497436 0.83 GAA (0.51) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL8483739 0.82 LDHA (0.48) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL9608014 0.80 LDHA (0.53) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL9608007 0.79 HTT (0.59) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL9608001 0.79 LDHA (0.58) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL9608081 0.79 HTT (0.50) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL9608066 0.78 LDHA (0.51) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL8483402 0.77 HTT (0.53) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL9608083 0.77 LDHA (0.51) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL9608018 0.77 LDHA (0.50) LDHALMNASMN1; SMN2GAAALPG

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 LDHA 2794/4885LMNA 3472/4885SMN1; SMN2 3889/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 LDHA 3946/4885LMNA 4659/4885SMN1; SMN2 4679/4885

“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.