SCHEMBL9608086

SCHEMBL9608086

Cc1ccccc1Oc1nc(C#CCCNc2ncnc3ccccc23)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.43
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
GAA P10253 4/20 0.40
ALPG P10696 1/20 0.40
S1PR2 O95136 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APP P05067 2/20 0.40
HTT P42858 6/20 0.39
MAPK1 P28482 4/20 0.39
EGFR P00533 3/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 3/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
ALOX15 P16050 2/20 0.37

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
SCHEMBL9609186 0.91 APP (0.48) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL8516377 0.89 LDHA (0.41) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL8516540 0.87 LDHA (0.40) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL8506086 0.87 EGFR (0.45) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL9608091 0.86 LDHA (0.39) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL8505228 0.86 LDHA (0.39) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL9608083 0.86 LDHA (0.51) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL8504439 0.85 LDHA (0.41) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL9608088 0.85 EGFR (0.50) LDHALMNASMN1; SMN2GAAALPG
SCHEMBL8483739 0.83 LDHA (0.48) LDHALMNASMN1; SMN2GAAALPG

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 4 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-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-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 LDHA 2794/4885LMNA 3472/4885SMN1; SMN2 3889/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 LDHA 3946/4885LMNA 4659/4885SMN1; 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.