SCHEMBL9608056

SCHEMBL9608056

Clc1cccc(C#CCCNc2ncnc3ccccc23)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.50
EGFR P00533 5/20 0.48
LMNA P02545 4/20 0.48
MAPK1 P28482 2/20 0.48
APP P05067 2/20 0.48
LDHA P00338 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
GAA P10253 3/20 0.46
ALPG P10696 1/20 0.46
S1PR2 O95136 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 3/20 0.44
GALR3 O60755 2/20 0.44
NR2F2 P24468 2/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
FADS1 O60427 1/20 0.41

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
SCHEMBL9608008 0.92 HTT (0.53) HTTEGFRLMNAMAPK1APP
SCHEMBL8483402 0.87 HTT (0.53) HTTEGFRLMNAMAPK1APP
SCHEMBL9608057 0.84 HTT (0.56) HTTEGFRLMNAMAPK1APP
SCHEMBL9608071 0.84 HTT (0.50) HTTEGFRLMNAMAPK1APP
SCHEMBL9608068 0.83 EGFR (0.50) HTTEGFRLMNAMAPK1APP
SCHEMBL8483400 0.83 HTT (0.55) HTTEGFRLMNAMAPK1APP
SCHEMBL8504213 0.82 LMNA (0.51) HTTEGFRLMNAMAPK1APP
SCHEMBL8515910 0.81 SMN1; SMN2 (0.53) HTTEGFRLMNAMAPK1APP
SCHEMBL9608009 0.81 HTT (0.50) HTTEGFRLMNAMAPK1APP
SCHEMBL9608067 0.81 HTT (0.52) HTTEGFRLMNAMAPK1APP

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
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

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 HTT 890/4885EGFR 3683/4885LMNA 3472/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 HTT 2572/4885EGFR 2442/4885LMNA 4659/4885

“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.