SCHEMBL9608209

SCHEMBL9608209

Clc1ncnc(NCCC#Cc2ccccc2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
PIK3CD O00329 2/20 0.36
PIK3R1 P27986 2/20 0.36
BTK Q06187 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA5 P08648 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
HTT P42858 2/20 0.34
EGFR P00533 2/20 0.34
LMNA P02545 1/20 0.34
APP P05067 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
GALR3 O60755 1/20 0.34
CCNC P24863 1/20 0.33

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
SCHEMBL9608208 0.86 CHRNB2 (0.41) CHRNB2CHRNA4PIK3CDPIK3R1BTK
SCHEMBL9608223 0.85 CHEK1 (0.38) CHRNB2CHRNA4PIK3CDPIK3R1BTK
SCHEMBL8490868 0.84 CHRNB2 (0.39) CHRNB2CHRNA4PIK3CDPIK3R1ITGB1
SCHEMBL9608226 0.82 CHRNB2 (0.38) CHRNB2CHRNA4PIK3CDPIK3R1BTK
SCHEMBL9608007 0.78 HTT (0.59) PIK3CDPIK3R1HTTEGFRLMNA
SCHEMBL9608217 0.77 KMT2A (0.35) CHRNB2CHRNA4CYP1A2CYP3A4LMNA
SCHEMBL9608210 0.75 CHRNB2 (0.43) CHRNB2CHRNA4ITGB1ITGA5CYP1A2
SCHEMBL9609215 0.75 HTT (0.59) PIK3CDPIK3R1HTTEGFRLMNA
SCHEMBL9608229 0.75 BTK (0.41) CHRNB2CHRNA4BTKCYP1A2CYP3A4
SCHEMBL9608230 0.75 BTK (0.62) BTKEGFR

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 6 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

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 CHRNB2 565/4885CHRNA4 259/4885PIK3CD 1417/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 CHRNB2 2652/4885CHRNA4 2514/4885PIK3CD 2282/4885

“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.