SCHEMBL9608212

SCHEMBL9608212

Cc1ncnc(NCCC#Cc2ccc(Cl)cc2C(F)(F)F)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
HTT P42858 3/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
CHRM4 P08173 1/20 0.30

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
SCHEMBL9608227 0.87 CYP1A2 (0.32) CYP1A2CYP2D6HTTALDH1A1
SCHEMBL9608211 0.82 CYP1A2 (0.36) CYP1A2CYP2D6PTGDR2EGFRALDH1A1
SCHEMBL9608062 0.81 HTT (0.50) CYP1A2CYP2D6HTTLMNASMN1; SMN2
SCHEMBL8516686 0.81 LPAR1 (0.33) POLBP2RX3P2RX2PTGDR2ALDH1A1
SCHEMBL8492003 0.81 CYP1A2 (0.46) CYP1A2CYP2D6HTTLMNASMN1; SMN2
SCHEMBL10445111 0.79 CYP1A2 (0.37) CYP1A2CYP2D6HTTHRH4PIK3CD
SCHEMBL9609098 0.79 HTT (0.40) POLBCYP1A2CYP2D6P2RX3P2RX2
SCHEMBL9608174 0.75 ALDH1A1 (0.47) CYP1A2CYP2D6HTTLMNASMN1; SMN2
SCHEMBL9608175 0.75 CYP1A2 (0.52) CYP1A2CYP2D6HTTLMNAEGFR
SCHEMBL9608216 0.74 CYP3A4 (0.35) POLBCYP1A2CYP2D6LMNAPTGDR2

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 POLB 1554/4885CYP1A2 2322/4885CYP2D6 395/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 POLB 3553/4885CYP1A2 169/4885CYP2D6 779/4885

“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.