SCHEMBL9609124

SCHEMBL9609124

O=Nc1ccccc1C#CCCNc1ncnc2sccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 3/20 0.44
LMNA P02545 5/20 0.43
TNF P01375 3/20 0.43
NOD1 Q9Y239 3/20 0.43
RAB9A P51151 3/20 0.41
MAPK1 P28482 2/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
TP53 P04637 1/20 0.40
FDPS P14324 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL9607952 0.84 HTT (0.52) HTTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL9607955 0.84 HTT (0.52) HTTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL9609174 0.84 HTT (0.52) HTTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL8505375 0.84 HTT (0.52) HTTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL9607950 0.84 MEN1 (0.59) HTTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL8483070 0.83 HTT (0.49) HTTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL9607974 0.83 MEN1 (0.55) HTTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL8515679 0.82 MEN1 (0.51) HTTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL8497503 0.81 HTT (0.47) HTTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL9607959 0.81 KMT2A (0.61) HTTSMN1; SMN2MEN1KMT2ATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 HTT 2572/4885SMN1; SMN2 4679/4885MEN1 4853/4885

“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.