SCHEMBL9608088

SCHEMBL9608088

COc1ccc(Oc2nc(C#CCCNc3ncnc4ccccc34)cs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.50
POLB P06746 1/20 0.50
NR2F2 P24468 1/20 0.50
LDHA P00338 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
APP P05067 2/20 0.42
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
ALPG P10696 1/20 0.40
S1PR2 O95136 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KDR P35968 2/20 0.39

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
SCHEMBL8506086 0.92 EGFR (0.45) EGFRPOLBNR2F2LDHASMN1; SMN2
SCHEMBL9608087 0.92 CLK4 (0.45) EGFRPOLBNR2F2LDHASMN1; SMN2
SCHEMBL8504439 0.91 LDHA (0.41) EGFRPOLBNR2F2LDHASMN1; SMN2
SCHEMBL9608083 0.90 LDHA (0.51) EGFRPOLBNR2F2LDHASMN1; SMN2
SCHEMBL9608093 0.89 ABCG2 (0.43) EGFRPOLBNR2F2LDHASMN1; SMN2
SCHEMBL9609186 0.89 APP (0.48) EGFRPOLBNR2F2LDHASMN1; SMN2
SCHEMBL9608090 0.88 LDHA (0.39) EGFRPOLBNR2F2LDHASMN1; SMN2
SCHEMBL9608086 0.85 LDHA (0.43) EGFRPOLBNR2F2LDHASMN1; SMN2
SCHEMBL9608094 0.85 EGFR (0.41) EGFRPOLBNR2F2LDHASMN1; SMN2
SCHEMBL8516377 0.83 LDHA (0.41) EGFRPOLBNR2F2LDHASMN1; SMN2

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 7 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
WO-2011007839-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE 株式会社エス・ディー・エス バイオテック (JP) 2011-01-20 WO 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.