SCHEMBL9608030

SCHEMBL9608030

CCOC(=O)c1ccc(C#CCCNc2ncnc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 4/20 0.53
LMNA P02545 3/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 6/20 0.48
NPC1 O15118 3/20 0.48
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
HPGD P15428 4/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
LDHA P00338 1/20 0.46
GAA P10253 5/20 0.46
MEN1 O00255 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL8505921 0.86 LDHA (0.48) RAB9ASMN1; SMN2MAPTLMNAKMT2A
SCHEMBL8496816 0.85 LMNA (0.50) RAB9ASMN1; SMN2MAPTLMNAKMT2A
SCHEMBL9608029 0.85 CDK1 (0.55) RAB9ASMN1; SMN2MAPTLMNAKMT2A
SCHEMBL9608014 0.83 LDHA (0.53) RAB9ASMN1; SMN2MAPTLMNAPOLB
SCHEMBL8497432 0.82 RAB9A (0.67) RAB9ASMN1; SMN2MAPTLMNAPOLB
SCHEMBL9608084 0.82 RAB9A (0.48) RAB9ASMN1; SMN2MAPTLMNAPOLB
SCHEMBL8504435 0.81 RAB9A (0.48) RAB9ASMN1; SMN2MAPTLMNAPOLB
SCHEMBL9608007 0.80 HTT (0.59) RAB9ASMN1; SMN2MAPTLMNAKMT2A
SCHEMBL9608018 0.80 LDHA (0.50) RAB9ASMN1; SMN2MAPTLMNAPOLB
SCHEMBL9608041 0.80 LDHA (0.48) RAB9ASMN1; SMN2MAPTLMNAPOLB

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 RAB9A 3469/4885SMN1; SMN2 3889/4885MAPT 2967/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 RAB9A 4200/4885SMN1; SMN2 4679/4885MAPT 4549/4885

“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.