SCHEMBL9607976

SCHEMBL9607976

COCc1ccccc1C#CCCNc1ncnc2c(C)csc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
LPAR2 Q9HBW0 11/20 0.36
LPAR1 Q92633 6/20 0.35
RAB9A P51151 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PRKCI P41743 1/20 0.32
LDHA P00338 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
NR2F2 P24468 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL9607977 0.84 RAB9A (0.51) RAB9AHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL9608188 0.83 AURKA (0.42) RAB9AHTTKDM4EALDH1A1LDHA
SCHEMBL8482247 0.82 MAPT (0.42) MAPTLPAR2LPAR1RAB9AHTT
SCHEMBL9607975 0.82 PDE4A (0.46) LDHAMEN1KMT2A
SCHEMBL9608197 0.80 HTT (0.38) RAB9AHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL9608189 0.79 RXFP1 (0.37) RAB9AHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8498027 0.79 AURKA (0.47) SMN1; SMN2KDM4EALDH1A1LDHAMEN1
SCHEMBL9608214 0.79 KMT2A (0.35) RAB9ASMN1; SMN2KDM4EALDH1A1LDHA
SCHEMBL9608215 0.79 KMT2A (0.36) RAB9ASMN1; SMN2KDM4EALDH1A1LDHA
SCHEMBL9607973 0.78 KMT2A (0.53) RAB9AHTTSMN1; SMN2MEN1NPC1

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 MAPT 2967/4885LPAR2 4487/4885LPAR1 4476/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 MAPT 4549/4885LPAR2 1454/4885LPAR1 2268/4885

“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.