SCHEMBL9608103

SCHEMBL9608103

CC(CC#Cc1ccccc1S(C)(=O)=O)Nc1ncnc2sccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.48
▸ NOD1 Q9Y239 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ PIP4K2A P48426 4/20 0.44
▸ PIP4K2C Q8TBX8 1/20 0.44
▸ FDPS P14324 1/20 0.42
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ PIP4K2B P78356 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 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
SCHEMBL9608105 0.85 RAB9A (0.53) TNFNOD1RAB9AFDPSNPC1
SCHEMBL9608097 0.84 RAB9A (0.52) TNFNOD1RAB9AFDPSNPC1
SCHEMBL9608158 0.84 GALR3 (0.44) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL9608102 0.82 KMT2A (0.53) TNFNOD1RAB9AFDPSNPC1
SCHEMBL9608109 0.82 RAB9A (0.50) TNFNOD1RAB9AFDPSNPC1
SCHEMBL9608108 0.81 RAB9A (0.49) TNFNOD1RAB9AFDPSNPC1
SCHEMBL9608099 0.81 RAB9A (0.49) TNFNOD1RAB9APIP4K2AFDPS
SCHEMBL9608123 0.81 PIP4K2A (0.48) TNFNOD1RAB9APIP4K2APIP4K2C
SCHEMBL6123117 0.81 RAB9A (0.59) TNFNOD1RAB9AFDPSNPC1
SCHEMBL9608132 0.78 RAB9A (0.51) TNFNOD1RAB9APIP4K2APIP4K2C

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 6 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

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 TNF 4828/4885NOD1 3465/4885RAB9A 3469/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 TNF 4733/4885NOD1 347/4885RAB9A 4200/4885

“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.

Send feedback