SCHEMBL9607977

SCHEMBL9607977

COCc1ccccc1C#CCCNc1ncnc2scc(C)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 5/20 0.38
RXFP1 Q9HBX9 2/20 0.38
NOD2 Q9HC29 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
PIP4K2C Q8TBX8 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL9607976 0.84 MAPT (0.38) RAB9AHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8497061 0.82 RAB9A (0.64) RAB9AHTTSMN1; SMN2LMNARXFP1
SCHEMBL9607973 0.82 KMT2A (0.53) RAB9AHTTSMN1; SMN2LMNAMEN1
SCHEMBL9608188 0.79 AURKA (0.42) RAB9AHTTRXFP1KDM4EALDH1A1
SCHEMBL9608214 0.79 KMT2A (0.35) RAB9ASMN1; SMN2LMNARXFP1GAA
SCHEMBL9608215 0.79 KMT2A (0.36) RAB9ASMN1; SMN2LMNARXFP1POLB
SCHEMBL9607975 0.78 PDE4A (0.46) MEN1KMT2ATNFNOD1
SCHEMBL10445850 0.78 MEN1 (0.34) RAB9ALMNAPOLBKDM4EALDH1A1
SCHEMBL8504062 0.77 LDHA (0.57) RAB9AHTTSMN1; SMN2LMNAPOLB
SCHEMBL9608217 0.77 KMT2A (0.35) RAB9ASMN1; SMN2LMNARXFP1GAA

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 RAB9A 3469/4885HTT 890/4885SMN1; SMN2 3889/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 RAB9A 4200/4885HTT 2572/4885SMN1; SMN2 4679/4885

“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.