SCHEMBL9608065

SCHEMBL9608065

COc1ccc2cc(C#CCCNc3ncnc4ccccc34)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.53
POLB P06746 2/20 0.53
NR2F2 P24468 1/20 0.53
LDHA P00338 1/20 0.51
APP P05067 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 1/20 0.50
CLK4 Q9HAZ1 2/20 0.47
DYRK3 O43781 1/20 0.47
MAP4K4 O95819 1/20 0.47
PDGFRA P16234 1/20 0.47
LTK P29376 1/20 0.47
GRK5 P34947 1/20 0.47
KDR P35968 1/20 0.47
MAPK8 P45983 1/20 0.47
CDK8 P49336 1/20 0.47
CDK7 P50613 1/20 0.47
IRAK1 P51617 1/20 0.47

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
SCHEMBL8506658 0.89 CCNC (0.53) EGFRPOLBNR2F2LDHAAPP
SCHEMBL9608024 0.84 LDHA (0.57) EGFRPOLBNR2F2LDHAAPP
SCHEMBL9608073 0.82 LDHA (0.52) EGFRPOLBNR2F2LDHAAPP
SCHEMBL8491410 0.81 LDHA (0.50) EGFRPOLBNR2F2LDHAAPP
SCHEMBL8516331 0.81 LMNA (0.45) EGFRNR2F2LDHAAPPSMN1; SMN2
SCHEMBL9608014 0.80 LDHA (0.53) EGFRPOLBNR2F2LDHAAPP
SCHEMBL9608031 0.80 LDHA (0.57) EGFRPOLBNR2F2LDHAAPP
SCHEMBL9608007 0.79 HTT (0.59) EGFRNR2F2LDHAAPPSMN1; SMN2
SCHEMBL9608020 0.79 APP (0.58) EGFRPOLBNR2F2LDHAAPP
SCHEMBL9608058 0.79 HTT (0.50) EGFRPOLBNR2F2LDHAAPP

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 EGFR 3683/4885POLB 1554/4885NR2F2 4012/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 EGFR 2442/4885POLB 3553/4885NR2F2 910/4885

“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.