SCHEMBL9608022

SCHEMBL9608022

CCOc1ccccc1C#CCCNc1ncnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
HTT P42858 5/20 0.54
GAA P10253 4/20 0.54
MAPK1 P28482 3/20 0.54
HSD17B10 Q99714 2/20 0.54
ALOX15 P16050 1/20 0.54
LDHA P00338 1/20 0.52
LMNA P02545 5/20 0.51
S1PR2 O95136 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALPG P10696 1/20 0.48
EGFR P00533 6/20 0.47
APP P05067 2/20 0.47
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NR2F2 P24468 3/20 0.43
GALR3 O60755 2/20 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
SCHEMBL9608020 0.90 APP (0.58) SMN1; SMN2HTTGAAMAPK1HSD17B10
SCHEMBL8496693 0.87 LDHA (0.50) SMN1; SMN2HTTGAAMAPK1HSD17B10
SCHEMBL9608040 0.85 LDHA (0.48) SMN1; SMN2HTTGAAMAPK1HSD17B10
SCHEMBL8496823 0.84 SMN1; SMN2 (0.53) SMN1; SMN2HTTGAAMAPK1LDHA
SCHEMBL9608043 0.84 LDHA (0.49) SMN1; SMN2HTTGAAMAPK1HSD17B10
SCHEMBL8489997 0.83 LDHA (0.50) SMN1; SMN2HTTGAAMAPK1HSD17B10
SCHEMBL15374823 0.82 LDHA (0.53) SMN1; SMN2HTTGAAMAPK1HSD17B10
SCHEMBL9608032 0.81 LDHA (0.52) SMN1; SMN2HTTGAAMAPK1HSD17B10
SCHEMBL9608008 0.81 HTT (0.53) SMN1; SMN2HTTGAAMAPK1LDHA
SCHEMBL8504213 0.81 LMNA (0.51) SMN1; SMN2HTTGAAMAPK1HSD17B10

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
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

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 SMN1; SMN2 3889/4885HTT 890/4885GAA 3714/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 SMN1; SMN2 4679/4885HTT 2572/4885GAA 4563/4885

“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.