SCHEMBL9608211

SCHEMBL9608211

Cc1cc(NCCC#Cc2ccc(Cl)cc2C(F)(F)F)ncn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.36
TSHR P16473 4/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.34
FAAH O00519 9/20 0.33
HSD11B1 P28845 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
CYP2D6 P10635 2/20 0.31
HIF1A Q16665 1/20 0.31
EGFR P00533 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL9608212 0.82 POLB (0.35) CYP1A2TSHRCYP3A4CYP2C19ALOX15
SCHEMBL9609204 0.78 CYP1A2 (0.39) CYP1A2TSHRCYP3A4CYP2C19ALOX15
SCHEMBL9608227 0.77 CYP1A2 (0.32) CYP1A2CYP2D6ALDH1A1
SCHEMBL9608062 0.76 HTT (0.50) CYP1A2TSHRCYP3A4CYP2C19ALOX15
SCHEMBL8492003 0.75 CYP1A2 (0.46) CYP1A2CYP2D6EGFR
SCHEMBL10445111 0.74 CYP1A2 (0.37) CYP1A2CYP2D6
SCHEMBL9608174 0.69 ALDH1A1 (0.47) CYP1A2TSHRCYP3A4CYP2C19ALOX15
SCHEMBL9608175 0.69 CYP1A2 (0.52) CYP1A2TSHRCYP3A4CYP2C19ALOX15
SCHEMBL9608216 0.68 CYP3A4 (0.35) CYP1A2TSHRCYP3A4CYP2C19ALOX15
SCHEMBL8516686 0.67 LPAR1 (0.33) KDM4EPTGDR2ALDH1A1

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 CYP1A2 2322/4885TSHR 2726/4885CYP3A4 1631/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 CYP1A2 169/4885TSHR 489/4885CYP3A4 823/4885

“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.