SCHEMBL9608033

SCHEMBL9608033

OC(c1ccccc1C#CCCNc1ncnc2ccccc12)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
EGFR P00533 5/20 0.44
MAPK1 P28482 2/20 0.44
APP P05067 2/20 0.44
LDHA P00338 1/20 0.43
GAA P10253 3/20 0.42
ALPG P10696 1/20 0.42
S1PR2 O95136 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 3/20 0.40
NR2F2 P24468 3/20 0.40
GALR3 O60755 2/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
AURKA O14965 1/20 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
SCHEMBL8516189 0.86 HTT (0.48) HTTSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL8489997 0.84 LDHA (0.50) HTTSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL9608010 0.81 HTT (0.48) HTTSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL15374823 0.81 LDHA (0.53) HTTSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL9608032 0.80 LDHA (0.52) HTTSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL8490469 0.79 HTT (0.54) HTTSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL9608040 0.79 LDHA (0.48) HTTSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL8515910 0.79 SMN1; SMN2 (0.53) HTTSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL9608009 0.79 HTT (0.50) HTTSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL9608008 0.78 HTT (0.53) HTTSMN1; SMN2LMNAMAPTKMT2A

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 8 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
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 HTT 890/4885SMN1; SMN2 3889/4885LMNA 3472/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 HTT 2572/4885SMN1; SMN2 4679/4885LMNA 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.