SCHEMBL8497828

SCHEMBL8497828

Fc1ccc(C#CCCNc2ncnc3ccccc23)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.48
HTT P42858 4/20 0.48
LMNA P02545 4/20 0.48
APP P05067 2/20 0.48
MAPK1 P28482 2/20 0.48
LDHA P00338 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
GAA P10253 3/20 0.46
ALPG P10696 1/20 0.46
S1PR2 O95136 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GALR3 O60755 2/20 0.44
NR2F2 P24468 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
CCNC P24863 1/20 0.43

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
SCHEMBL9608070 0.85 HTT (0.49) EGFRHTTLMNAAPPMAPK1
SCHEMBL8506658 0.85 CCNC (0.53) EGFRHTTLMNAAPPMAPK1
SCHEMBL9608007 0.84 HTT (0.59) EGFRHTTLMNAAPPMAPK1
SCHEMBL9608058 0.84 HTT (0.50) EGFRHTTLMNAAPPMAPK1
SCHEMBL9608050 0.84 HTT (0.48) EGFRHTTLMNAAPPMAPK1
SCHEMBL9609177 0.82 HTT (0.51) EGFRHTTLMNAAPPMAPK1
SCHEMBL9608014 0.82 LDHA (0.53) EGFRHTTLMNAAPPMAPK1
SCHEMBL8497633 0.82 HTT (0.51) EGFRHTTLMNAAPPMAPK1
SCHEMBL8504219 0.82 HTT (0.54) EGFRHTTLMNAAPPMAPK1
SCHEMBL8505968 0.82 HTT (0.46) EGFRHTTLMNAAPPMAPK1

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 9 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
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
EP-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 EP 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 3683/4885HTT 890/4885LMNA 3472/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 EGFR 2442/4885HTT 2572/4885LMNA 4659/4885

“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.