SCHEMBL9608087

SCHEMBL9608087

COc1cccc(Oc2nc(C#CCCNc3ncnc4ccccc34)cs2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 6/20 0.45
EGFR P00533 4/20 0.45
DYRK1A Q13627 2/20 0.45
DYRK3 O43781 1/20 0.45
MAP4K4 O95819 1/20 0.45
PDGFRA P16234 1/20 0.45
LTK P29376 1/20 0.45
GRK5 P34947 1/20 0.45
KDR P35968 1/20 0.45
MAPK8 P45983 1/20 0.45
CDK8 P49336 1/20 0.45
CDK7 P50613 1/20 0.45
IRAK1 P51617 1/20 0.45
NEK4 P51957 1/20 0.45
LIMK1 P53667 1/20 0.45
ACVR1 Q04771 1/20 0.45
TNK2 Q07912 1/20 0.45
MAPK14 Q16539 1/20 0.45
LRRK2 Q5S007 1/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL9608088 0.92 EGFR (0.50) CLK4EGFRDYRK1ADYRK3MAP4K4
SCHEMBL8506086 0.90 EGFR (0.45) CLK4EGFRDYRK1AMAP4K4LTK
SCHEMBL9608094 0.90 EGFR (0.41) CLK4EGFRDYRK1ADYRK3MAP4K4
SCHEMBL9608092 0.88 ABCG2 (0.44) CLK4EGFRMAP4K4CDK8ABCG2
SCHEMBL9608083 0.88 LDHA (0.51) CLK4EGFRDYRK1ADYRK3MAP4K4
SCHEMBL9608089 0.87 EGFR (0.43) EGFRKDRMAPK14AURKBABCG2
SCHEMBL9609186 0.86 APP (0.48) CLK4EGFRABCG2LMNASMN1; SMN2
SCHEMBL8504439 0.85 LDHA (0.41) EGFRKDRLMNASMN1; SMN2HTT
SCHEMBL9608093 0.83 ABCG2 (0.43) CLK4EGFRKDRCDK8AURKB
SCHEMBL9608086 0.83 LDHA (0.43) CLK4EGFRLMNASMN1; SMN2HTT

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 CLK4 1759/4885EGFR 3683/4885DYRK1A 2571/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 CLK4 1019/4885EGFR 2442/4885DYRK1A 2416/4885

“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.