SCHEMBL9608210

SCHEMBL9608210

Clc1cc(NCCC#Cc2ccccc2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
CYP1A2 P05177 4/20 0.36
CYP2C19 P33261 4/20 0.36
MAPK1 P28482 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
HTR7 P34969 2/20 0.35
CYP2C9 P11712 1/20 0.34
THPO P40225 1/20 0.34
NPC1 O15118 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL11111797 0.75 PIK3CD (0.53) CYP1A2CYP2C19CLK4ALDH1A1USP2
SCHEMBL9608209 0.75 CHRNB2 (0.40) CHRNB2CHRNA4ITGB1ITGA5CYP1A2
SCHEMBL9609205 0.75 HTR7 (0.58) CYP1A2CYP2C19MAPK1CLK4CYP3A4
SCHEMBL9608208 0.73 CHRNB2 (0.41) CHRNB2CHRNA4ITGB1ITGA5NPC1
SCHEMBL9608223 0.72 CHEK1 (0.38) CHRNB2CHRNA4ITGB1ITGA5CLK4
SCHEMBL29836457 0.71 CYP1A2 (0.64) CYP1A2CYP2C19MAPK1CLK4CYP3A4
SCHEMBL1666072 0.71 CYP1A2 (0.64) CYP1A2CYP2C19MAPK1CLK4CYP3A4
SCHEMBL8490868 0.71 CHRNB2 (0.39) CHRNB2CHRNA4ITGB1ITGA5MAPK1
SCHEMBL21593130 0.69 POLB (0.42) CYP1A2CYP2C19MAPK1CLK4CYP3A4
SCHEMBL9608007 0.69 HTT (0.59) MAPK1CLK4TSHRMEN1KMT2A

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 259/4885ITGB1 3517/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 CHRNB2 2652/4885CHRNA4 2514/4885ITGB1 4486/4885

“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.